1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

C21H18N4O2 — CID 4082307

IUPAC1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
SMILESCOc1ccccc1-n1cnc2cc(C(=O)NCc3cccnc3)ccc21
InChIInChI=1S/C21H18N4O2/c1-27-20-7-3-2-6-19(20)25-14-24-17-11-16(8-9-18(17)25)21(26)23-13-15-5-4-10-22-12-15/h2-12,14H,13H2,1H3,(H,23,26)
InChIKeyXYVZQYYOYIIHQW-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.36
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 4082307) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
PubChem CID4082307
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
SMILESCOc1ccccc1-n1cnc2cc(C(=O)NCc3cccnc3)ccc21
InChIInChI=1S/C21H18N4O2/c1-27-20-7-3-2-6-19(20)25-14-24-17-11-16(8-9-18(17)25)21(26)23-13-15-5-4-10-22-12-15/h2-12,14H,13H2,1H3,(H,23,26)
InChIKeyXYVZQYYOYIIHQW-UHFFFAOYSA-N
XLogP3.36
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide (CID 4082307) is 1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide is COc1ccccc1-n1cnc2cc(C(=O)NCc3cccnc3)ccc21.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is XYVZQYYOYIIHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-27-20-7-3-2-6-19(20)25-14-24-17-11-16(8-9-18(17)25)21(26)23-13-15-5-4-10-22-12-15/h2-12,14H,13H2,1H3,(H,23,26).
What are the key properties of 1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 4082307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).