1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one

C23H27N3O2 — CID 3786381

IUPAC1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCC(C)Cn1c(C2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21
InChIInChI=1S/C23H27N3O2/c1-4-16(2)14-26-19-10-6-5-9-18(19)24-23(26)17-13-22(27)25(15-17)20-11-7-8-12-21(20)28-3/h5-12,16-17H,4,13-15H2,1-3H3
InChIKeyWWQLNDMYYBVNLM-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.61
Rot. Bonds6

About 1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 3786381) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID3786381
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCC(C)Cn1c(C2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21
InChIInChI=1S/C23H27N3O2/c1-4-16(2)14-26-19-10-6-5-9-18(19)24-23(26)17-13-22(27)25(15-17)20-11-7-8-12-21(20)28-3/h5-12,16-17H,4,13-15H2,1-3H3
InChIKeyWWQLNDMYYBVNLM-UHFFFAOYSA-N
XLogP4.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-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

(4R)-1-(2-methoxyphenyl)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40773736
(4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40512734
(4S)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40841120
1-(2-methoxyphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 3707339
1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4754533
1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754285
(4S)-1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7010928
1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004302
(4S)-1-(2-methoxyphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 25301041
(4R)-4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40852442
1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 3405569
(4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40871118

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 3786381) is 1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one is CCC(C)Cn1c(C2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is WWQLNDMYYBVNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-4-16(2)14-26-19-10-6-5-9-18(19)24-23(26)17-13-22(27)25(15-17)20-11-7-8-12-21(20)28-3/h5-12,16-17H,4,13-15H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 377.49 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 3786381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).