N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide

C25H31N3O — CID 16996581

IUPACN-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
SMILESCC(C)c1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C25H31N3O/c1-19(2)25-26-22-15-9-10-16-23(22)28(25)18-24(29)27(21-13-7-4-8-14-21)17-20-11-5-3-6-12-20/h3,5-6,9-12,15-16,19,21H,4,7-8,13-14,17-18H2,1-2H3
InChIKeyDORJHUDWOQSZFU-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.52
Rot. Bonds6

About N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide

N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 16996581) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
PubChem CID16996581
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
SMILESCC(C)c1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C25H31N3O/c1-19(2)25-26-22-15-9-10-16-23(22)28(25)18-24(29)27(21-13-7-4-8-14-21)17-20-11-5-3-6-12-20/h3,5-6,9-12,15-16,19,21H,4,7-8,13-14,17-18H2,1-2H3
InChIKeyDORJHUDWOQSZFU-UHFFFAOYSA-N
XLogP5.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide 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-benzyl-N-cyclohexyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 16996480
N-[1-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967141
N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996582
N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16995967
N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006484
N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000112
N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997050
N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17006639
N-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16997674
N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 16964693
N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide
CID 17002085
N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16998435

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide (CID 16996581) is N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide is CC(C)c1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
The InChIKey is DORJHUDWOQSZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-19(2)25-26-22-15-9-10-16-23(22)28(25)18-24(29)27(21-13-7-4-8-14-21)17-20-11-5-3-6-12-20/h3,5-6,9-12,15-16,19,21H,4,7-8,13-14,17-18H2,1-2H3.
What are the key properties of N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 389.54 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 16996581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).