1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide

C34H28ClN3O2 — CID 134126984

IUPAC1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2c(c1)nc(COc1ccc3ccccc3c1)n2Cc1cccc(Cl)c1
InChIInChI=1S/C34H28ClN3O2/c35-29-12-6-9-25(19-29)22-38-32-16-14-28(34(39)36-18-17-24-7-2-1-3-8-24)21-31(32)37-33(38)23-40-30-15-13-26-10-4-5-11-27(26)20-30/h1-16,19-21H,17-18,22-23H2,(H,36,39)
InChIKeyCQIYVXJUKAWLQY-UHFFFAOYSA-N
MW546.07 g/mol
LogP7.44
Rot. Bonds9

About 1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide

1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide (PubChem CID 134126984) has the molecular formula C34H28ClN3O2 and a molecular weight of 546.07 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
PubChem CID134126984
Molecular FormulaC34H28ClN3O2
Molecular Weight546.07 g/mol
Exact Mass545.19
IUPAC Name1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2c(c1)nc(COc1ccc3ccccc3c1)n2Cc1cccc(Cl)c1
InChIInChI=1S/C34H28ClN3O2/c35-29-12-6-9-25(19-29)22-38-32-16-14-28(34(39)36-18-17-24-7-2-1-3-8-24)21-31(32)37-33(38)23-40-30-15-13-26-10-4-5-11-27(26)20-30/h1-16,19-21H,17-18,22-23H2,(H,36,39)
InChIKeyCQIYVXJUKAWLQY-UHFFFAOYSA-N
XLogP7.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.07
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide
CID 134127046
N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide
CID 134127066
N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
CID 134127039
1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
4-methoxy-N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976709
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
1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 134127016
5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46309158
3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990931
5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46310917
2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 32735745

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide (CID 134126984) is 1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide is O=C(NCCc1ccccc1)c1ccc2c(c1)nc(COc1ccc3ccccc3c1)n2Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide?
The InChIKey is CQIYVXJUKAWLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28ClN3O2/c35-29-12-6-9-25(19-29)22-38-32-16-14-28(34(39)36-18-17-24-7-2-1-3-8-24)21-31(32)37-33(38)23-40-30-15-13-26-10-4-5-11-27(26)20-30/h1-16,19-21H,17-18,22-23H2,(H,36,39).
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide?
1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide has a molecular weight of 546.07 g/mol, XLogP of 7.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 134126984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).