(4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one

C25H21Cl2N3O — CID 39116042

IUPAC(4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1=O
InChIInChI=1S/C25H21Cl2N3O/c1-16-6-2-4-8-22(16)29-15-18(13-24(29)31)25-28-21-7-3-5-9-23(21)30(25)14-17-10-11-19(26)20(27)12-17/h2-12,18H,13-15H2,1H3/t18-/m1/s1
InChIKeyLLOPCHIGPIXCIC-GOSISDBHSA-N
MW450.37 g/mol
LogP6.22
Rot. Bonds4

About (4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one

(4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one (PubChem CID 39116042) has the molecular formula C25H21Cl2N3O and a molecular weight of 450.37 g/mol. Its IUPAC name is (4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
PubChem CID39116042
Molecular FormulaC25H21Cl2N3O
Molecular Weight450.37 g/mol
Exact Mass449.11
IUPAC Name(4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1=O
InChIInChI=1S/C25H21Cl2N3O/c1-16-6-2-4-8-22(16)29-15-18(13-24(29)31)25-28-21-7-3-5-9-23(21)30(25)14-17-10-11-19(26)20(27)12-17/h2-12,18H,13-15H2,1H3/t18-/m1/s1
InChIKeyLLOPCHIGPIXCIC-GOSISDBHSA-N
XLogP6.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.37
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 3737057
(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
(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
4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 17004324
4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4293513
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one
CID 40698692
(4R)-1-(2-methylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7011056
1-(2,3-dimethylphenyl)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4753991
(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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one (CID 39116042) is (4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one is Cc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1=O.
What is the InChIKey of (4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one?
The InChIKey is LLOPCHIGPIXCIC-GOSISDBHSA-N. The full InChI is InChI=1S/C25H21Cl2N3O/c1-16-6-2-4-8-22(16)29-15-18(13-24(29)31)25-28-21-7-3-5-9-23(21)30(25)14-17-10-11-19(26)20(27)12-17/h2-12,18H,13-15H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one?
(4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one has a molecular weight of 450.37 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 39116042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).