1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one

C23H25N3O2 — CID 17004299

IUPAC1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCC(=O)C(C)n1c(C2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21
InChIInChI=1S/C23H25N3O2/c1-14-9-15(2)11-19(10-14)25-13-18(12-22(25)28)23-24-20-7-5-6-8-21(20)26(23)16(3)17(4)27/h5-11,16,18H,12-13H2,1-4H3
InChIKeyAVQKMMIRZMZBTJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.32
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one

1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17004299) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17004299
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCC(=O)C(C)n1c(C2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21
InChIInChI=1S/C23H25N3O2/c1-14-9-15(2)11-19(10-14)25-13-18(12-22(25)28)23-24-20-7-5-6-8-21(20)26(23)16(3)17(4)27/h5-11,16,18H,12-13H2,1-4H3
InChIKeyAVQKMMIRZMZBTJ-UHFFFAOYSA-N
XLogP4.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)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

1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005867
(4R)-1-(3,5-dimethylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080608
1-(4-methylphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3741589
(4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136839
4-(1-benzylbenzimidazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 4754232
1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754257
(4S)-1-(3,5-dimethylphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40513720
1-(3,5-dimethylphenyl)-4-(1-octylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17004183
(4R)-1-(3,5-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080614
1-(3,5-dimethylphenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004244
propan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 17004109
1-(3,5-dimethylphenyl)-4-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004267

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one (CID 17004299) is 1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one is CC(=O)C(C)n1c(C2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is AVQKMMIRZMZBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14-9-15(2)11-19(10-14)25-13-18(12-22(25)28)23-24-20-7-5-6-8-21(20)26(23)16(3)17(4)27/h5-11,16,18H,12-13H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 375.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17004299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).