1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one

C27H27N3O — CID 18811111

IUPAC1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(N2CC(c3nc4ccccc4n3C(C)c3ccccc3)CC2=O)c(C)c1
InChIInChI=1S/C27H27N3O/c1-18-13-14-24(19(2)15-18)29-17-22(16-26(29)31)27-28-23-11-7-8-12-25(23)30(27)20(3)21-9-5-4-6-10-21/h4-15,20,22H,16-17H2,1-3H3
InChIKeyOGRNNQQKTVYOOA-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.78
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 18811111) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID18811111
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(N2CC(c3nc4ccccc4n3C(C)c3ccccc3)CC2=O)c(C)c1
InChIInChI=1S/C27H27N3O/c1-18-13-14-24(19(2)15-18)29-17-22(16-26(29)31)27-28-23-11-7-8-12-25(23)30(27)20(3)21-9-5-4-6-10-21/h4-15,20,22H,16-17H2,1-3H3
InChIKeyOGRNNQQKTVYOOA-UHFFFAOYSA-N
XLogP5.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889252
(4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40698966
1-(2,4-dimethylphenyl)-4-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 2959864
(4S)-1-(4-ethoxyphenyl)-4-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40639949
1-(4-methylphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3741589
4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 18811104
(4S)-1-(2,4-dimethylphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7080350
4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 4753766
4-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 18811110
1-(2,4-dimethylphenyl)-4-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17002889
1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 43842064
1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4754106

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 18811111) is 1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one is Cc1ccc(N2CC(c3nc4ccccc4n3C(C)c3ccccc3)CC2=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is OGRNNQQKTVYOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c1-18-13-14-24(19(2)15-18)29-17-22(16-26(29)31)27-28-23-11-7-8-12-25(23)30(27)20(3)21-9-5-4-6-10-21/h4-15,20,22H,16-17H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 409.53 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 18811111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).