1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide

C24H22ClN3O3 — CID 134127046

IUPAC1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide
SMILESO=C(NCCO)c1ccc2c(c1)nc(COc1ccccc1)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN3O3/c25-19-9-6-17(7-10-19)15-28-22-11-8-18(24(30)26-12-13-29)14-21(22)27-23(28)16-31-20-4-2-1-3-5-20/h1-11,14,29H,12-13,15-16H2,(H,26,30)
InChIKeyPUNOXKDIQJVIKD-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.04
Rot. Bonds8

About 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide

1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide (PubChem CID 134127046) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide
PubChem CID134127046
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide
SMILESO=C(NCCO)c1ccc2c(c1)nc(COc1ccccc1)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN3O3/c25-19-9-6-17(7-10-19)15-28-22-11-8-18(24(30)26-12-13-29)14-21(22)27-23(28)16-31-20-4-2-1-3-5-20/h1-11,14,29H,12-13,15-16H2,(H,26,30)
InChIKeyPUNOXKDIQJVIKD-UHFFFAOYSA-N
XLogP4.04
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide
CID 134127033
N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 134127025
N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
CID 134127039
1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 134126984
1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983804
N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide
CID 134127066
N-[5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide
CID 16990920
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754980
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17009016

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide (CID 134127046) is 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide is O=C(NCCO)c1ccc2c(c1)nc(COc1ccccc1)n2Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide?
The InChIKey is PUNOXKDIQJVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c25-19-9-6-17(7-10-19)15-28-22-11-8-18(24(30)26-12-13-29)14-21(22)27-23(28)16-31-20-4-2-1-3-5-20/h1-11,14,29H,12-13,15-16H2,(H,26,30).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide has a molecular weight of 435.91 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 134127046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).