2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone

C20H21N3O — CID 16995636

IUPAC2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1CCCC1
InChIInChI=1S/C20H21N3O/c24-20(22-12-6-7-13-22)15-23-18-11-5-4-10-17(18)21-19(23)14-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2
InChIKeyMWKLVXUUYGBWQX-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.25
Rot. Bonds4

About 2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone

2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 16995636) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID16995636
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1CCCC1
InChIInChI=1S/C20H21N3O/c24-20(22-12-6-7-13-22)15-23-18-11-5-4-10-17(18)21-19(23)14-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2
InChIKeyMWKLVXUUYGBWQX-UHFFFAOYSA-N
XLogP3.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone 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

2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 42536578
3-(2-benzylbenzimidazol-1-yl)-2-oxopropanoic acid
CID 22464938
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006753
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020
N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973964
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986136
2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
CID 46784670
2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 82359384
(Z)-N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970891
methyl 2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetate
CID 859540
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone (CID 16995636) is 2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone is O=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1CCCC1.
What is the InChIKey of 2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is MWKLVXUUYGBWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-20(22-12-6-7-13-22)15-23-18-11-5-4-10-17(18)21-19(23)14-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2.
What are the key properties of 2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone?
2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 319.41 g/mol, XLogP of 3.25, 4 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)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 16995636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).