(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one

C21H23N3O — CID 7136828

IUPAC(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C21H23N3O/c1-2-12-24-19-11-7-6-10-18(19)22-21(24)17-13-20(25)23(15-17)14-16-8-4-3-5-9-16/h3-11,17H,2,12-15H2,1H3/t17-/m1/s1
InChIKeyMDYSZPHLVHPHLT-QGZVFWFLSA-N
MW333.43 g/mol
LogP3.96
Rot. Bonds5

About (4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one

(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 7136828) has the molecular formula C21H23N3O and a molecular weight of 333.43 g/mol. Its IUPAC name is (4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID7136828
Molecular FormulaC21H23N3O
Molecular Weight333.43 g/mol
Exact Mass333.18
IUPAC Name(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C21H23N3O/c1-2-12-24-19-11-7-6-10-18(19)22-21(24)17-13-20(25)23(15-17)14-16-8-4-3-5-9-16/h3-11,17H,2,12-15H2,1H3/t17-/m1/s1
InChIKeyMDYSZPHLVHPHLT-QGZVFWFLSA-N
XLogP3.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)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

1-benzyl-4-(1-heptylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005433
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
CID 39115868
(4R)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346319
(4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346317
(4R)-1-butyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 95055110
1-benzyl-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754148
(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40500172
(4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 27210193
4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005702
1-[(4-fluorophenyl)methyl]-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005570
(4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814660
4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242754

Frequently Asked Questions

What is the IUPAC name of (4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one (CID 7136828) is (4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one is CCCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21.
What is the InChIKey of (4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is MDYSZPHLVHPHLT-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-12-24-19-11-7-6-10-18(19)22-21(24)17-13-20(25)23(15-17)14-16-8-4-3-5-9-16/h3-11,17H,2,12-15H2,1H3/t17-/m1/s1.
What are the key properties of (4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 333.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 7136828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).