(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one

C25H21ClFN3O — CID 25345342

IUPAC(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C25H21ClFN3O/c26-20-9-5-18(6-10-20)15-30-23-4-2-1-3-22(23)28-25(30)19-13-24(31)29(16-19)14-17-7-11-21(27)12-8-17/h1-12,19H,13-16H2/t19-/m1/s1
InChIKeyOKPVQLSYZKLUBB-LJQANCHMSA-N
MW433.91 g/mol
LogP5.39
Rot. Bonds5

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

(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 25345342) has the molecular formula C25H21ClFN3O and a molecular weight of 433.91 g/mol. Its IUPAC name is (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
PubChem CID25345342
Molecular FormulaC25H21ClFN3O
Molecular Weight433.91 g/mol
Exact Mass433.14
IUPAC Name(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C25H21ClFN3O/c26-20-9-5-18(6-10-20)15-30-23-4-2-1-3-22(23)28-25(30)19-13-24(31)29(16-19)14-17-7-11-21(27)12-8-17/h1-12,19H,13-16H2/t19-/m1/s1
InChIKeyOKPVQLSYZKLUBB-LJQANCHMSA-N
XLogP5.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.91
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(1-ethylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 40698749
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242774
4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 17005574
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 17005650
(4R)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346319
(4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346317
(4R)-1-[(4-fluorophenyl)methyl]-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 25345355
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 17005558
1-[(4-fluorophenyl)methyl]-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005570
N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 42387185
1-(4-chlorophenyl)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18889051
1-[(4-fluorophenyl)methyl]-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005590

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one (CID 25345342) is (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one is O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1Cc1ccc(F)cc1.
What is the InChIKey of (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is OKPVQLSYZKLUBB-LJQANCHMSA-N. The full InChI is InChI=1S/C25H21ClFN3O/c26-20-9-5-18(6-10-20)15-30-23-4-2-1-3-22(23)28-25(30)19-13-24(31)29(16-19)14-17-7-11-21(27)12-8-17/h1-12,19H,13-16H2/t19-/m1/s1.
What are the key properties of (4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 433.91 g/mol, XLogP of 5.39, 5 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-[(4-fluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 25345342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).