4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one

C26H25N3O — CID 17005702

IUPAC4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2ccccc2)CN1CCc1ccccc1
InChIInChI=1S/C26H25N3O/c30-25-17-22(19-28(25)16-15-20-9-3-1-4-10-20)26-27-23-13-7-8-14-24(23)29(26)18-21-11-5-2-6-12-21/h1-14,22H,15-19H2
InChIKeyJMNKTBFXZKAJCW-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.64
Rot. Bonds6

About 4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one

4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 17005702) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID17005702
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2ccccc2)CN1CCc1ccccc1
InChIInChI=1S/C26H25N3O/c30-25-17-22(19-28(25)16-15-20-9-3-1-4-10-20)26-27-23-13-7-8-14-24(23)29(26)18-21-11-5-2-6-12-21/h1-14,22H,15-19H2
InChIKeyJMNKTBFXZKAJCW-UHFFFAOYSA-N
XLogP4.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one 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

4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005726
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
CID 39115868
(4R)-1-butyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 95055110
sodium 2-[2-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 90480515
(4S)-1-methyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 39115849
(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136828
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005823
4-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005768
1-benzyl-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754148
4-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005745
4-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005801
4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005804

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one (CID 17005702) is 4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2Cc2ccccc2)CN1CCc1ccccc1.
What is the InChIKey of 4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is JMNKTBFXZKAJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c30-25-17-22(19-28(25)16-15-20-9-3-1-4-10-20)26-27-23-13-7-8-14-24(23)29(26)18-21-11-5-2-6-12-21/h1-14,22H,15-19H2.
What are the key properties of 4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one?
4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 395.51 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 17005702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).