(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C25H19ClF3N3O — CID 40836236

IUPAC(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H19ClF3N3O/c26-19-10-8-16(9-11-19)14-32-22-7-2-1-6-21(22)30-24(32)17-12-23(33)31(15-17)20-5-3-4-18(13-20)25(27,28)29/h1-11,13,17H,12,14-15H2/t17-/m1/s1
InChIKeyQDZXXDUHZJWUBK-QGZVFWFLSA-N
MW469.89 g/mol
LogP6.28
Rot. Bonds4

About (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 40836236) has the molecular formula C25H19ClF3N3O and a molecular weight of 469.89 g/mol. Its IUPAC name is (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID40836236
Molecular FormulaC25H19ClF3N3O
Molecular Weight469.89 g/mol
Exact Mass469.12
IUPAC Name(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H19ClF3N3O/c26-19-10-8-16(9-11-19)14-32-22-7-2-1-6-21(22)30-24(32)17-12-23(33)31(15-17)20-5-3-4-18(13-20)25(27,28)29/h1-11,13,17H,12,14-15H2/t17-/m1/s1
InChIKeyQDZXXDUHZJWUBK-QGZVFWFLSA-N
XLogP6.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.89
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 1299421
(4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 40836255
1-(4-chlorophenyl)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18889051
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 18811274
4-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one
CID 18889226
(4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 7080434
(4S)-4-[1-(2-methylpropyl)benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 7080442
(4S)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 40836190
(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 40698914
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 18811250
4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 6200874
(4R)-4-(1-methylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 7080429

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 40836236) is (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is QDZXXDUHZJWUBK-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H19ClF3N3O/c26-19-10-8-16(9-11-19)14-32-22-7-2-1-6-21(22)30-24(32)17-12-23(33)31(15-17)20-5-3-4-18(13-20)25(27,28)29/h1-11,13,17H,12,14-15H2/t17-/m1/s1.
What are the key properties of (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 469.89 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 40836236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).