N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

C23H34N4O2 — CID 16969439

IUPACN-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)c1nc2ccccc2n1CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C23H34N4O2/c1-16(24-22(29)23(2,3)4)21-25-18-13-9-10-14-19(18)27(21)15-20(28)26(5)17-11-7-6-8-12-17/h9-10,13-14,16-17H,6-8,11-12,15H2,1-5H3,(H,24,29)
InChIKeyUKIAJALJMTYKJE-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.05
Rot. Bonds5

About N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 16969439) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID16969439
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)c1nc2ccccc2n1CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C23H34N4O2/c1-16(24-22(29)23(2,3)4)21-25-18-13-9-10-14-19(18)27(21)15-20(28)26(5)17-11-7-6-8-12-17/h9-10,13-14,16-17H,6-8,11-12,15H2,1-5H3,(H,24,29)
InChIKeyUKIAJALJMTYKJE-UHFFFAOYSA-N
XLogP4.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967595
N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969456
N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969455
N-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide
CID 16996383
N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969915
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965
N-cyclohexyl-N-methyl-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 16999536
N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996581
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
N-[1-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967141
2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16969327

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (CID 16969439) is N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)c1nc2ccccc2n1CC(=O)N(C)C1CCCCC1.
What is the InChIKey of N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is UKIAJALJMTYKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-16(24-22(29)23(2,3)4)21-25-18-13-9-10-14-19(18)27(21)15-20(28)26(5)17-11-7-6-8-12-17/h9-10,13-14,16-17H,6-8,11-12,15H2,1-5H3,(H,24,29).
What are the key properties of N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 398.55 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16969439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).