Molecule ID: 657047

IUPAC Name: 5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid

Description: The molecule is a 2-aminobenzimidazole having methyl substituents at the 5- and 6-positions and a 5-carboxypentyl group at the 1-position. It has a role as an epitope. It is a dimethylbenzimidazole and a monocarboxylic acid.

SMILES: Cc1cc2[nH]c(=N)n(CCCCC(=O)O)c2cc1C

SELFIES: [C][C][=C][C][NH1][C][=Branch1][C][=N][N][Branch1][#Branch2][C][C][C][C][C][=Branch1][C][=O][O][C][=Ring1][=N][C][=C][Ring1][P][C]

InChI: InChI=1S/C14H19N3O2/c1-9-7-11-12(8-10(9)2)17(14(15)16-11)6-4-3-5-13(18)19/h7-8H,3-6H2,1-2H3,(H2,15,16)(H,18,19)

Molecular Properties:
- Polar Surface Area: 81.1 Ų
- LogP: 2.0