2-Amino-1-benzylbenzimidazole

C₁₄H₁₃N₃CAS 43182-10-1223.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₃N₃
Molar mass: 223.28 g/mol
Exact mass: 223.1109 Da
Melting point: 192–193 °C
logP: 2.50Crippen estimate
Polar surface area: 44.6 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

43182-10-1

SMILES

N=c1[nH]c2ccccc2n1Cc1ccccc1

InChIKey

LXIDSOCBAAMGJX-UHFFFAOYSA-N

InChI

InChI=1S/C14H13N3/c15-14-16-12-8-4-5-9-13(12)17(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,15,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

1H-Benzimidazol-2-amine, 1-(phenylmethyl)-
Benzimidazole, 2-amino-1-benzyl-
1-(Phenylmethyl)-1H-benzimidazol-2-amine
1-Benzyl-2-aminobenzimidazole
2-Imino-1-benzyl-1,3-dihydrobenzimidazole
1-Benzyl-1H-benzoimidazol-2-ylamine
1-Benzyl-1H-1,3-benzodiazol-2-amine
1-Benzylbenzimidazol-2-amine
1-Benzyl-1H-benzimidazol-2-amine
1-Benzyl-1H-benzo[d]imidazol-2-amine

Work with 2-Amino-1-benzylbenzimidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Methyl-1H-benzimidazol-2-amine1622-57-750 % similar N-Benzylisatoic anhydride35710-05-540 % similar 1-Benzylindole3377-71-736 % similar 1-Benzyl-1H-indazol-3-ol2215-63-635 % similar N-Benzylpyrrole2051-97-034 % similar 1-Benzyl-1H-indole-3-carbaldehyde10511-51-033 % similar 9-Aminoacridine90-45-933 % similar 2-Aminobenzimidazole934-32-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook