4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one

C26H23Cl2N3O — CID 18811104

IUPAC4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(c3nc4ccccc4n3Cc3c(Cl)cccc3Cl)CC2=O)c(C)c1
InChIInChI=1S/C26H23Cl2N3O/c1-16-10-11-23(17(2)12-16)30-14-18(13-25(30)32)26-29-22-8-3-4-9-24(22)31(26)15-19-20(27)6-5-7-21(19)28/h3-12,18H,13-15H2,1-2H3
InChIKeyIMMKZQBMHVALFF-UHFFFAOYSA-N
MW464.40 g/mol
LogP6.53
Rot. Bonds4

About 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one

4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one (PubChem CID 18811104) has the molecular formula C26H23Cl2N3O and a molecular weight of 464.40 g/mol. Its IUPAC name is 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one
PubChem CID18811104
Molecular FormulaC26H23Cl2N3O
Molecular Weight464.40 g/mol
Exact Mass463.12
IUPAC Name4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(c3nc4ccccc4n3Cc3c(Cl)cccc3Cl)CC2=O)c(C)c1
InChIInChI=1S/C26H23Cl2N3O/c1-16-10-11-23(17(2)12-16)30-14-18(13-25(30)32)26-29-22-8-3-4-9-24(22)31(26)15-19-20(27)6-5-7-21(19)28/h3-12,18H,13-15H2,1-2H3
InChIKeyIMMKZQBMHVALFF-UHFFFAOYSA-N
XLogP6.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.40
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
(4S)-1-(2,4-dimethylphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7080350
(4R)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 7011738
1-(2,4-dimethylphenyl)-4-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 2959864
(4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 39116042
4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 18889114
4-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 17002914
4-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 17002887
4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 3737057
1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4753906
(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-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one (CID 18811104) is 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(c3nc4ccccc4n3Cc3c(Cl)cccc3Cl)CC2=O)c(C)c1.
What is the InChIKey of 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is IMMKZQBMHVALFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O/c1-16-10-11-23(17(2)12-16)30-14-18(13-25(30)32)26-29-22-8-3-4-9-24(22)31(26)15-19-20(27)6-5-7-21(19)28/h3-12,18H,13-15H2,1-2H3.
What are the key properties of 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one?
4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 464.40 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 18811104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).