2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide

C29H39N3O2 — CID 22181408

IUPAC2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC3CCCC3)cc1)n2CCC(C)C
InChIInChI=1S/C29H39N3O2/c1-5-31(6-2)29(33)23-13-16-27-26(20-23)30-28(32(27)18-17-21(3)4)19-22-11-14-25(15-12-22)34-24-9-7-8-10-24/h11-16,20-21,24H,5-10,17-19H2,1-4H3
InChIKeyNILJSCAJHVULQP-UHFFFAOYSA-N
MW461.65 g/mol
LogP6.48
Rot. Bonds10

About 2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide

2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide (PubChem CID 22181408) has the molecular formula C29H39N3O2 and a molecular weight of 461.65 g/mol. Its IUPAC name is 2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide
PubChem CID22181408
Molecular FormulaC29H39N3O2
Molecular Weight461.65 g/mol
Exact Mass461.30
IUPAC Name2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC3CCCC3)cc1)n2CCC(C)C
InChIInChI=1S/C29H39N3O2/c1-5-31(6-2)29(33)23-13-16-27-26(20-23)30-28(32(27)18-17-21(3)4)19-22-11-14-25(15-12-22)34-24-9-7-8-10-24/h11-16,20-21,24H,5-10,17-19H2,1-4H3
InChIKeyNILJSCAJHVULQP-UHFFFAOYSA-N
XLogP6.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide (CID 22181408) is 2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC3CCCC3)cc1)n2CCC(C)C.
What is the InChIKey of 2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide?
The InChIKey is NILJSCAJHVULQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O2/c1-5-31(6-2)29(33)23-13-16-27-26(20-23)30-28(32(27)18-17-21(3)4)19-22-11-14-25(15-12-22)34-24-9-7-8-10-24/h11-16,20-21,24H,5-10,17-19H2,1-4H3.
What are the key properties of 2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide?
2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide has a molecular weight of 461.65 g/mol, XLogP of 6.48, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 22181408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).