(4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C25H20F3N3O — CID 1299421

IUPAC(4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H20F3N3O/c26-25(27,28)19-9-6-10-20(14-19)30-16-18(13-23(30)32)24-29-21-11-4-5-12-22(21)31(24)15-17-7-2-1-3-8-17/h1-12,14,18H,13,15-16H2/t18-/m1/s1
InChIKeyJPAKURWNKZEHAT-GOSISDBHSA-N
MW435.45 g/mol
LogP5.62
Rot. Bonds4

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

(4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 1299421) has the molecular formula C25H20F3N3O and a molecular weight of 435.45 g/mol. Its IUPAC name is (4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID1299421
Molecular FormulaC25H20F3N3O
Molecular Weight435.45 g/mol
Exact Mass435.16
IUPAC Name(4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H20F3N3O/c26-25(27,28)19-9-6-10-20(14-19)30-16-18(13-23(30)32)24-29-21-11-4-5-12-22(21)31(24)15-17-7-2-1-3-8-17/h1-12,14,18H,13,15-16H2/t18-/m1/s1
InChIKeyJPAKURWNKZEHAT-GOSISDBHSA-N
XLogP5.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 40836236
(4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 40836255
(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
4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 6200874
(4S)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 40812640
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 18811250
(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 40504936
(4R)-4-(1-methylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 7080429
4-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one
CID 18889226
4-(1-benzylbenzimidazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 4754232
(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 40698914

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 1299421) is (4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is JPAKURWNKZEHAT-GOSISDBHSA-N. The full InChI is InChI=1S/C25H20F3N3O/c26-25(27,28)19-9-6-10-20(14-19)30-16-18(13-23(30)32)24-29-21-11-4-5-12-22(21)31(24)15-17-7-2-1-3-8-17/h1-12,14,18H,13,15-16H2/t18-/m1/s1.
What are the key properties of (4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 435.45 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 1299421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).