2-Aminobenzimidazole

Details

• Internal ID: f015e77a-9068-46d0-b8ef-825a578695e9
• Taxonomy: Organoheterocyclic compounds > Benzimidazoles
• IUPAC Name: 1H-benzimidazol-2-amine
• InChI: InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
• InChI Key: JWYUFVNJZUSCSM-UHFFFAOYSA-N
• Popularity: 912 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₇N₃
• Molecular Weight: 133.15 g/mol
• Exact Mass: 133.063997236 g/mol
• Topological Polar Surface Area (TPSA): 54.70 Ų
• XlogP: 0.90

Synonyms

• 934-32-7
• 1H-Benzimidazol-2-amine
• 2-Iminobenzimidazoline
• USAF EK-4037
• DTXSID1024465
• CHEBI:27822
• E65DE7521V
• NSC-7628
• NSC-27793
• DTXCID004465
• RefChem:465095
• 2-aminobenzimidazole monosulfate
• 2-aminobenzimidazole monohydrochloride
• 213-280-6
• 1H-Benzo[d]imidazol-2-amine
• Benzimidazole, 2-amino-
• 2-Amino-1H-benzimidazole
• Benzimidazol-2-ylamine
• 2-Benzimidazolamine
• 2-Amino benzimidazole
• MFCD00005596
• 1H-1,3-benzodiazol-2-amine
• 2-amino-benzimidazole
• 1H-benzimidazol-2-ylamine
• 1H-Benzoimidazol-2-ylamine
• CHEMBL305513
• 162938-41-2
• benzimidazole-2-ylamine
• 2H-Benzimidazol-2-imine,1,3-dihydro-(9CI)
• WLN: T56 BM DNJ CZ
• Caswell No. 033AA
• aminobenzimidazole
• CAS-934-32-7
• CCRIS 4354
• NSC 7628
• EINECS 213-280-6
• NSC 27793
• BRN 0116525
• UNII-E65DE7521V
• AI3-60094
• 2fpz
• benzimidazole amine
• benzimidazole-amine
• 2-aminobenzimidazol
• 2-ammobenzimidazole
• AX7
• 2-aminobenzoimidazole
• Carbendazim metabolite
• 2fx6
• 1H-benzoimidazol-2-amine
• Imidazole C-2 deriv. 3
• SCHEMBL9098
• 2-Aminobenzimidazole, 97%
• Oprea1_243328
• YSWG454
• 5-25-10-00372 (Beilstein Handbook Reference)
• JMC524454 Compound 5
• MLS001074865
• 1H-benz[d]imidazole-2-amine
• BIDD:GT0837
• SCHEMBL444778
• AMINOBENZIMIDAZOLE, 2-
• 1H-1,3-benzimidazol-2-amine
• BDBM7960
• SCHEMBL1705977
• SCHEMBL1947186
• SCHEMBL1948270
• SCHEMBL2475507
• SCHEMBL2564874
• SCHEMBL3499660
• SCHEMBL6599224
• SCHEMBL20895105
• SCHEMBL30587443
• MSK5511
• NSC7628
• HMS1741L08
• HMS2865C12
• SRCA-00001
• CS-D1373
• HY-Y0410
• NSC27793
• STR00452
• 2-AB (2-Amine-1H-benzimidazole)
• Tox21_201949
• Tox21_303120
• BBL033933
• SBB028244
• STL283126
• AKOS000104081
• FA00990
• SB75578
• NCGC00091178-01
• NCGC00091178-02
• NCGC00257027-01
• NCGC00259498-01
• AC-15858
• SMR000019082
• SY032901
• TS-01718
• 1,3-dihydro-benzoimidazol-2-ylidene amine
• DB-346953
• A0850
• EU-0067838
• NS00010870
• ST50949412
• EN300-18977
• W10172
• AQ-738/40188880
• F064965
• 2-Iminobenzimidazoline SRIRAMCHEM-aminobenzimidazole
• Q27103356
• 2-Aminobenzimidazole, PESTANAL(R), analytical standard
• F0266-1828
• Z104378302
• InChI=1/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL3577	P00352	Aldehyde dehydrogenase 1A1	19952.6 nM	Potency	via CMAUP
CHEMBL3437	Q16853	Amine oxidase, copper containing	4100 nM	IC50	PMID: 23664164

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	93.08%	94.62%
CHEMBL1952	P04818	Thymidylate synthase	92.37%	93.53%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.22%	91.11%
CHEMBL308	P06493	Cyclin-dependent kinase 1	84.92%	91.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.65%	95.56%
CHEMBL1781	P11387	DNA topoisomerase I	82.80%	97.00%
CHEMBL3902	P09211	Glutathione S-transferase Pi	82.35%	93.81%
CHEMBL1287628	Q9Y5S8	NADPH oxidase 1	81.98%	95.48%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	81.37%	85.30%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.16%	96.09%

Plants that contains it

• Oreocome striata

Cross-Links

• PubChem: 13624
• NPASS: NPC317642
• ChEMBL: CHEMBL305513