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

C25H19ClF3N3O — CID 40836255

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

(4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 40836255) has the molecular formula C25H19ClF3N3O and a molecular weight of 469.89 g/mol. Its IUPAC name is (4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
• PubChem CID: 40836255
• Molecular Formula: C25H19ClF3N3O
• Molecular Weight: 469.89 g/mol
• Exact Mass: 469.12
• IUPAC Name: (4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
• SMILES: O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C25H19ClF3N3O/c26-20-9-2-1-6-16(20)14-32-22-11-4-3-10-21(22)30-24(32)17-12-23(33)31(15-17)19-8-5-7-18(13-19)25(27,28)29/h1-11,13,17H,12,14-15H2/t17-/m0/s1
• InChIKey: KNQIMMNFLHQVFS-KRWDZBQOSA-N
• XLogP: 6.28
• TPSA: 38.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.89
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?

The IUPAC name of (4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 40836255) is (4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

What is the SMILES notation for (4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?

The canonical SMILES for (4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1c1cccc(C(F)(F)F)c1.

What is the InChIKey of (4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?

The InChIKey is KNQIMMNFLHQVFS-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H19ClF3N3O/c26-20-9-2-1-6-16(20)14-32-22-11-4-3-10-21(22)30-24(32)17-12-23(33)31(15-17)19-8-5-7-18(13-19)25(27,28)29/h1-11,13,17H,12,14-15H2/t17-/m0/s1.

What are the key properties of (4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?

(4S)-4-[1-[(2-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 (4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 40836255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).