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

C25H22FN3O — CID 40698966

IUPAC(4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)n1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C25H22FN3O/c1-17(18-7-3-2-4-8-18)29-23-10-6-5-9-22(23)27-25(29)19-15-24(30)28(16-19)21-13-11-20(26)12-14-21/h2-14,17,19H,15-16H2,1H3/t17-,19-/m0/s1
InChIKeyLPWLOSXJIVAHBQ-HKUYNNGSSA-N
MW399.47 g/mol
LogP5.31
Rot. Bonds4

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

(4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 40698966) has the molecular formula C25H22FN3O and a molecular weight of 399.47 g/mol. Its IUPAC name is (4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID40698966
Molecular FormulaC25H22FN3O
Molecular Weight399.47 g/mol
Exact Mass399.17
IUPAC Name(4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)n1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C25H22FN3O/c1-17(18-7-3-2-4-8-18)29-23-10-6-5-9-22(23)27-25(29)19-15-24(30)28(16-19)21-13-11-20(26)12-14-21/h2-14,17,19H,15-16H2,1H3/t17-,19-/m0/s1
InChIKeyLPWLOSXJIVAHBQ-HKUYNNGSSA-N
XLogP5.31
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 ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-(4-ethoxyphenyl)-4-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40639949
1-(2-chlorophenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889252
1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18811111
1-(4-methylphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3741589
1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 43842064
1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005867
(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698975
(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 40728257
1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4754106
1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889124
(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011791
4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 18889114

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 40698966) is (4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one is C[C@@H](c1ccccc1)n1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21.
What is the InChIKey of (4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is LPWLOSXJIVAHBQ-HKUYNNGSSA-N. The full InChI is InChI=1S/C25H22FN3O/c1-17(18-7-3-2-4-8-18)29-23-10-6-5-9-22(23)27-25(29)19-15-24(30)28(16-19)21-13-11-20(26)12-14-21/h2-14,17,19H,15-16H2,1H3/t17-,19-/m0/s1.
What are the key properties of (4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one?
(4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 399.47 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 40698966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).