Molecule ID: 118797939

IUPAC Name: 3-(2-cyclohexylbenzimidazol-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide

Description: The molecule is a member of the class of benzimidazoles that is the amide obtained by formal condensation of the carboxy group of 3-(2-cyclohexylbenzimidazol-1-yl)propanoic acid with the amino group of (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine. An inhibitor of teichoic acid biosynthesis. It has a role as a teichoic acid biosynthesis inhibitor. It is a member of benzimidazoles, a monocarboxylic acid amide and a bridged compound.

SMILES: CC1(C)[C@@H]2CC[C@@]1(C)[C@H](N=C(O)CCn1c(C3CCCCC3)nc3ccccc31)C2

SELFIES: [C][C][Branch1][C][C][C@@H1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][C@H1][Branch2][Ring1][#C][N][=C][Branch1][C][O][C][C][N][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][Ring2][Ring1][O]

InChI: InChI=1S/C26H37N3O/c1-25(2)19-13-15-26(25,3)22(17-19)28-23(30)14-16-29-21-12-8-7-11-20(21)27-24(29)18-9-5-4-6-10-18/h7-8,11-12,18-19,22H,4-6,9-10,13-17H2,1-3H3,(H,28,30)/t19-,22-,26+/m1/s1

Molecular Properties:
- Polar Surface Area: 46.9 Ų
- LogP: 5.8