1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide

C32H31N3O3 — CID 134127016

IUPAC1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
SMILESCOc1cccc(Cn2c(C(C)Oc3ccccc3)nc3cc(C(=O)NCCc4ccccc4)ccc32)c1
InChIInChI=1S/C32H31N3O3/c1-23(38-27-13-7-4-8-14-27)31-34-29-21-26(32(36)33-19-18-24-10-5-3-6-11-24)16-17-30(29)35(31)22-25-12-9-15-28(20-25)37-2/h3-17,20-21,23H,18-19,22H2,1-2H3,(H,33,36)
InChIKeyJGISGDUQFQFNDB-UHFFFAOYSA-N
MW505.62 g/mol
LogP6.21
Rot. Bonds10

About 1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide

1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide (PubChem CID 134127016) has the molecular formula C32H31N3O3 and a molecular weight of 505.62 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
PubChem CID134127016
Molecular FormulaC32H31N3O3
Molecular Weight505.62 g/mol
Exact Mass505.24
IUPAC Name1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
SMILESCOc1cccc(Cn2c(C(C)Oc3ccccc3)nc3cc(C(=O)NCCc4ccccc4)ccc32)c1
InChIInChI=1S/C32H31N3O3/c1-23(38-27-13-7-4-8-14-27)31-34-29-21-26(32(36)33-19-18-24-10-5-3-6-11-24)16-17-30(29)35(31)22-25-12-9-15-28(20-25)37-2/h3-17,20-21,23H,18-19,22H2,1-2H3,(H,33,36)
InChIKeyJGISGDUQFQFNDB-UHFFFAOYSA-N
XLogP6.21
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide
CID 134127106
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole-5-carboxamide
CID 73352225
N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53003089
3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007935
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 134126984
N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 16978211
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110387937
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 3594822
2-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxamide
CID 52942290

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide (CID 134127016) is 1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide is COc1cccc(Cn2c(C(C)Oc3ccccc3)nc3cc(C(=O)NCCc4ccccc4)ccc32)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide?
The InChIKey is JGISGDUQFQFNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O3/c1-23(38-27-13-7-4-8-14-27)31-34-29-21-26(32(36)33-19-18-24-10-5-3-6-11-24)16-17-30(29)35(31)22-25-12-9-15-28(20-25)37-2/h3-17,20-21,23H,18-19,22H2,1-2H3,(H,33,36).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide?
1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide has a molecular weight of 505.62 g/mol, XLogP of 6.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 134127016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).