(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one

C25H22FN3O — CID 40728257

IUPAC(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C25H22FN3O/c1-17-6-12-21(13-7-17)28-16-19(14-24(28)30)25-27-22-4-2-3-5-23(22)29(25)15-18-8-10-20(26)11-9-18/h2-13,19H,14-16H2,1H3/t19-/m0/s1
InChIKeyDLMORAPRGUFPPF-IBGZPJMESA-N
MW399.47 g/mol
LogP5.05
Rot. Bonds4

About (4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one

(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 40728257) has the molecular formula C25H22FN3O and a molecular weight of 399.47 g/mol. Its IUPAC name is (4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID40728257
Molecular FormulaC25H22FN3O
Molecular Weight399.47 g/mol
Exact Mass399.17
IUPAC Name(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C25H22FN3O/c1-17-6-12-21(13-7-17)28-16-19(14-24(28)30)25-27-22-4-2-3-5-23(22)29(25)15-18-8-10-20(26)11-9-18/h2-13,19H,14-16H2,1H3/t19-/m0/s1
InChIKeyDLMORAPRGUFPPF-IBGZPJMESA-N
XLogP5.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.47
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-(4-methylphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40504930
1-(3,4-dimethylphenyl)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4753815
(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011791
(4S)-1-(3,5-dimethylphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40513720
(4S)-1-(4-methylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40728245
(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 25338479
1-(4-chlorophenyl)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18889051
(4S)-1-(4-methoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40792530
4-(1-benzylbenzimidazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 4754232
4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 18889114
(4S)-1-(4-methylphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7011305
(4S)-1-(3-methoxyphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7011032

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one (CID 40728257) is (4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)cc1.
What is the InChIKey of (4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is DLMORAPRGUFPPF-IBGZPJMESA-N. The full InChI is InChI=1S/C25H22FN3O/c1-17-6-12-21(13-7-17)28-16-19(14-24(28)30)25-27-22-4-2-3-5-23(22)29(25)15-18-8-10-20(26)11-9-18/h2-13,19H,14-16H2,1H3/t19-/m0/s1.
What are the key properties of (4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 399.47 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 40728257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).