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

C28H37N3O2 — CID 22181270

IUPAC2-[(4-cyclobutyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC3CCC3)cc1)n2CCC(C)C
InChIInChI=1S/C28H37N3O2/c1-5-30(6-2)28(32)22-12-15-26-25(19-22)29-27(31(26)17-16-20(3)4)18-21-10-13-24(14-11-21)33-23-8-7-9-23/h10-15,19-20,23H,5-9,16-18H2,1-4H3
InChIKeyOCQRTISEANCLQE-UHFFFAOYSA-N
MW447.62 g/mol
LogP6.09
Rot. Bonds10

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

2-[(4-cyclobutyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide (PubChem CID 22181270) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is 2-[(4-cyclobutyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-cyclobutyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide
PubChem CID22181270
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC Name2-[(4-cyclobutyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC3CCC3)cc1)n2CCC(C)C
InChIInChI=1S/C28H37N3O2/c1-5-30(6-2)28(32)22-12-15-26-25(19-22)29-27(31(26)17-16-20(3)4)18-21-10-13-24(14-11-21)33-23-8-7-9-23/h10-15,19-20,23H,5-9,16-18H2,1-4H3
InChIKeyOCQRTISEANCLQE-UHFFFAOYSA-N
XLogP6.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-cyclobutyloxyphenyl)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-cyclobutyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-[(4-cyclobutyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide (CID 22181270) is 2-[(4-cyclobutyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(4-cyclobutyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-[(4-cyclobutyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC3CCC3)cc1)n2CCC(C)C.
What is the InChIKey of 2-[(4-cyclobutyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide?
The InChIKey is OCQRTISEANCLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-5-30(6-2)28(32)22-12-15-26-25(19-22)29-27(31(26)17-16-20(3)4)18-21-10-13-24(14-11-21)33-23-8-7-9-23/h10-15,19-20,23H,5-9,16-18H2,1-4H3.
What are the key properties of 2-[(4-cyclobutyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide?
2-[(4-cyclobutyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide has a molecular weight of 447.62 g/mol, XLogP of 6.09, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclobutyloxyphenyl)methyl]-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 22181270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).