1-benzyl-2-(2-hydroxyphenyl)-N-methylbenzimidazole-4-carboxamide

C22H19N3O2 — CID 137189940

IUPAC1-benzyl-2-(2-hydroxyphenyl)-N-methylbenzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2c1nc(-c1ccccc1O)n2Cc1ccccc1
InChIInChI=1S/C22H19N3O2/c1-23-22(27)17-11-7-12-18-20(17)24-21(16-10-5-6-13-19(16)26)25(18)14-15-8-3-2-4-9-15/h2-13,26H,14H2,1H3,(H,23,27)
InChIKeyJGGVCLFLOLHMSW-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.82
Rot. Bonds4

About 1-benzyl-2-(2-hydroxyphenyl)-N-methylbenzimidazole-4-carboxamide

1-benzyl-2-(2-hydroxyphenyl)-N-methylbenzimidazole-4-carboxamide (PubChem CID 137189940) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-benzyl-2-(2-hydroxyphenyl)-N-methylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-(2-hydroxyphenyl)-N-methylbenzimidazole-4-carboxamide
PubChem CID137189940
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name1-benzyl-2-(2-hydroxyphenyl)-N-methylbenzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2c1nc(-c1ccccc1O)n2Cc1ccccc1
InChIInChI=1S/C22H19N3O2/c1-23-22(27)17-11-7-12-18-20(17)24-21(16-10-5-6-13-19(16)26)25(18)14-15-8-3-2-4-9-15/h2-13,26H,14H2,1H3,(H,23,27)
InChIKeyJGGVCLFLOLHMSW-UHFFFAOYSA-N
XLogP3.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-hydroxyphenyl)-N-methylbenzimidazole-4-carboxamide?
The IUPAC name of 1-benzyl-2-(2-hydroxyphenyl)-N-methylbenzimidazole-4-carboxamide (CID 137189940) is 1-benzyl-2-(2-hydroxyphenyl)-N-methylbenzimidazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-2-(2-hydroxyphenyl)-N-methylbenzimidazole-4-carboxamide?
The canonical SMILES for 1-benzyl-2-(2-hydroxyphenyl)-N-methylbenzimidazole-4-carboxamide is CNC(=O)c1cccc2c1nc(-c1ccccc1O)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(2-hydroxyphenyl)-N-methylbenzimidazole-4-carboxamide?
The InChIKey is JGGVCLFLOLHMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-23-22(27)17-11-7-12-18-20(17)24-21(16-10-5-6-13-19(16)26)25(18)14-15-8-3-2-4-9-15/h2-13,26H,14H2,1H3,(H,23,27).
What are the key properties of 1-benzyl-2-(2-hydroxyphenyl)-N-methylbenzimidazole-4-carboxamide?
1-benzyl-2-(2-hydroxyphenyl)-N-methylbenzimidazole-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-hydroxyphenyl)-N-methylbenzimidazole-4-carboxamide is sourced from PubChem (CID 137189940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).