1-(4-methoxyphenyl)-2-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

C22H20N4O2 — CID 3247594

IUPAC1-(4-methoxyphenyl)-2-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(-n2c(C)nc3cc(C(=O)NCc4cccnc4)ccc32)cc1
InChIInChI=1S/C22H20N4O2/c1-15-25-20-12-17(22(27)24-14-16-4-3-11-23-13-16)5-10-21(20)26(15)18-6-8-19(28-2)9-7-18/h3-13H,14H2,1-2H3,(H,24,27)
InChIKeyMAFCOQCATDHJBM-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.67
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

1-(4-methoxyphenyl)-2-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 3247594) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
PubChem CID3247594
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-(4-methoxyphenyl)-2-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(-n2c(C)nc3cc(C(=O)NCc4cccnc4)ccc32)cc1
InChIInChI=1S/C22H20N4O2/c1-15-25-20-12-17(22(27)24-14-16-4-3-11-23-13-16)5-10-21(20)26(15)18-6-8-19(28-2)9-7-18/h3-13H,14H2,1-2H3,(H,24,27)
InChIKeyMAFCOQCATDHJBM-UHFFFAOYSA-N
XLogP3.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-2-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide (CID 3247594) is 1-(4-methoxyphenyl)-2-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide is COc1ccc(-n2c(C)nc3cc(C(=O)NCc4cccnc4)ccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is MAFCOQCATDHJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-25-20-12-17(22(27)24-14-16-4-3-11-23-13-16)5-10-21(20)26(15)18-6-8-19(28-2)9-7-18/h3-13H,14H2,1-2H3,(H,24,27).
What are the key properties of 1-(4-methoxyphenyl)-2-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
1-(4-methoxyphenyl)-2-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 3247594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).