4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one

C20H21N3O — CID 4293513

IUPAC4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCCn1c(C2CC(=O)N(c3ccccc3C)C2)nc2ccccc21
InChIInChI=1S/C20H21N3O/c1-3-22-18-11-7-5-9-16(18)21-20(22)15-12-19(24)23(13-15)17-10-6-4-8-14(17)2/h4-11,15H,3,12-13H2,1-2H3
InChIKeyYECLRRWRYMCKQN-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.89
Rot. Bonds3

About 4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one

4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one (PubChem CID 4293513) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
PubChem CID4293513
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCCn1c(C2CC(=O)N(c3ccccc3C)C2)nc2ccccc21
InChIInChI=1S/C20H21N3O/c1-3-22-18-11-7-5-9-16(18)21-20(22)15-12-19(24)23(13-15)17-10-6-4-8-14(17)2/h4-11,15H,3,12-13H2,1-2H3
InChIKeyYECLRRWRYMCKQN-UHFFFAOYSA-N
XLogP3.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4753906
4-[1-(3-methylbutyl)benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 4274079
(4R)-1-(2-methylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7011056
4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 3737057
(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 25338479
(4R)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 7011738
(4R)-4-[1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 40688721
1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17002642
(4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 39116042
(4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136839
(4S)-1-(2-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7010943
(4R)-4-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 35179994

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one (CID 4293513) is 4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one is CCn1c(C2CC(=O)N(c3ccccc3C)C2)nc2ccccc21.
What is the InChIKey of 4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one?
The InChIKey is YECLRRWRYMCKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-22-18-11-7-5-9-16(18)21-20(22)15-12-19(24)23(13-15)17-10-6-4-8-14(17)2/h4-11,15H,3,12-13H2,1-2H3.
What are the key properties of 4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one?
4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 4293513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).