1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

C21H18N4O2 — CID 4642150

IUPAC1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(-n2cnc3cc(C(=O)NCc4cccnc4)ccc32)cc1
InChIInChI=1S/C21H18N4O2/c1-27-18-7-5-17(6-8-18)25-14-24-19-11-16(4-9-20(19)25)21(26)23-13-15-3-2-10-22-12-15/h2-12,14H,13H2,1H3,(H,23,26)
InChIKeyQWZVVJLNNONMDY-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.36
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 4642150) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
PubChem CID4642150
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(-n2cnc3cc(C(=O)NCc4cccnc4)ccc32)cc1
InChIInChI=1S/C21H18N4O2/c1-27-18-7-5-17(6-8-18)25-14-24-19-11-16(4-9-20(19)25)21(26)23-13-15-3-2-10-22-12-15/h2-12,14H,13H2,1H3,(H,23,26)
InChIKeyQWZVVJLNNONMDY-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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide (CID 4642150) is 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide is COc1ccc(-n2cnc3cc(C(=O)NCc4cccnc4)ccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is QWZVVJLNNONMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-27-18-7-5-17(6-8-18)25-14-24-19-11-16(4-9-20(19)25)21(26)23-13-15-3-2-10-22-12-15/h2-12,14H,13H2,1H3,(H,23,26).
What are the key properties of 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
1-(4-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-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 4642150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).