2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide

C24H31N3O — CID 16995629

IUPAC2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H31N3O/c1-18(2)15-26(16-19(3)4)24(28)17-27-22-13-9-8-12-21(22)25-23(27)14-20-10-6-5-7-11-20/h5-13,18-19H,14-17H2,1-4H3
InChIKeyWBLJSVMLCKMJRJ-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.77
Rot. Bonds8

About 2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide

2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide (PubChem CID 16995629) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
PubChem CID16995629
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H31N3O/c1-18(2)15-26(16-19(3)4)24(28)17-27-22-13-9-8-12-21(22)25-23(27)14-20-10-6-5-7-11-20/h5-13,18-19H,14-17H2,1-4H3
InChIKeyWBLJSVMLCKMJRJ-UHFFFAOYSA-N
XLogP4.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)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-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979038
N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973957
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992642
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16980010
N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999427
N,N-bis(2-methylpropyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999311
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974826
3-(2-benzylbenzimidazol-1-yl)-2-oxopropanoic acid
CID 22464938
N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987485
2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide
CID 17032336
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16981382

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide (CID 16995629) is 2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)Cn1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is WBLJSVMLCKMJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-18(2)15-26(16-19(3)4)24(28)17-27-22-13-9-8-12-21(22)25-23(27)14-20-10-6-5-7-11-20/h5-13,18-19H,14-17H2,1-4H3.
What are the key properties of 2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide?
2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 377.53 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 16995629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).