2-(3′-Methoxyphenyl) Benzimidazole-4-Carboxamide

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.

Phenylbenzimidazoles

Organic compounds

Organoheterocyclic compounds

Benzimidazoles

Phenylbenzimidazoles

Calculated Property

kind Value Source
logP 2.04 ALOGPS
logS -3.4 ALOGPS
Water Solubility 1.00e-01 g/l ALOGPS
logP 1.98 ChemAxon
IUPAC Name 2-(3-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide ChemAxon
Traditional IUPAC Name 2-(3-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide ChemAxon
Molecular Weight 267.2826 ChemAxon
Monoisotopic Weight 267.100776675 ChemAxon
SMILES COC1=CC=CC(=C1)C1=NC2=C(N1)C=CC=C2C(N)=O ChemAxon
Molecular Formula C15H13N3O2 ChemAxon
InChI InChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18) ChemAxon
InChIKey InChIKey=NVVWVYYHTKCIAE-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 81 ChemAxon
Refractivity 85.61 ChemAxon
Polarizability 28.62 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 10.33 ChemAxon
pKa (strongest basic) 4.07 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Poly [ADP-ribose] polymerase 1 : in Human