4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one

C27H27N3O — CID 17005726

IUPAC4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCc1ccc(Cn2c(C3CC(=O)N(CCc4ccccc4)C3)nc3ccccc32)cc1
InChIInChI=1S/C27H27N3O/c1-20-11-13-22(14-12-20)18-30-25-10-6-5-9-24(25)28-27(30)23-17-26(31)29(19-23)16-15-21-7-3-2-4-8-21/h2-14,23H,15-19H2,1H3
InChIKeyRYRBNOFQAVYMRJ-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.95
Rot. Bonds6

About 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one

4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 17005726) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID17005726
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCc1ccc(Cn2c(C3CC(=O)N(CCc4ccccc4)C3)nc3ccccc32)cc1
InChIInChI=1S/C27H27N3O/c1-20-11-13-22(14-12-20)18-30-25-10-6-5-9-24(25)28-27(30)23-17-26(31)29(19-23)16-15-21-7-3-2-4-8-21/h2-14,23H,15-19H2,1H3
InChIKeyRYRBNOFQAVYMRJ-UHFFFAOYSA-N
XLogP4.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-[(4-methylphenyl)methyl]benzimidazol-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-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005702
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
CID 39115868
1-benzyl-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754148
(4R)-1-butyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 95055110
4-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005801
(4S)-1-methyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 39115849
(4R)-1-(4-methylphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40504930
(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136828
(4R)-1-benzyl-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40812840
(4S)-1-benzyl-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40812843
sodium 2-[2-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 90480515
4-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005745

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one (CID 17005726) is 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one is Cc1ccc(Cn2c(C3CC(=O)N(CCc4ccccc4)C3)nc3ccccc32)cc1.
What is the InChIKey of 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is RYRBNOFQAVYMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c1-20-11-13-22(14-12-20)18-30-25-10-6-5-9-24(25)28-27(30)23-17-26(31)29(19-23)16-15-21-7-3-2-4-8-21/h2-14,23H,15-19H2,1H3.
What are the key properties of 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one?
4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 409.53 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 17005726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).