(4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one

C20H18FN3O — CID 7080526

IUPAC(4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESC=CCn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21
InChIInChI=1S/C20H18FN3O/c1-2-11-23-18-10-6-4-8-16(18)22-20(23)14-12-19(25)24(13-14)17-9-5-3-7-15(17)21/h2-10,14H,1,11-13H2/t14-/m0/s1
InChIKeyAEINTAGBIPOFHC-AWEZNQCLSA-N
MW335.38 g/mol
LogP3.88
Rot. Bonds4

About (4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one

(4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 7080526) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is (4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID7080526
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name(4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESC=CCn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21
InChIInChI=1S/C20H18FN3O/c1-2-11-23-18-10-6-4-8-16(18)22-20(23)14-12-19(25)24(13-14)17-9-5-3-7-15(17)21/h2-10,14H,1,11-13H2/t14-/m0/s1
InChIKeyAEINTAGBIPOFHC-AWEZNQCLSA-N
XLogP3.88
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 6941306
4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one
CID 17003416
1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754134
1-(2-fluorophenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003499
(4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 7080505
(4R)-1-(3-methylsulfanylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080684
1-(1,3-benzodioxol-5-yl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16964882
1-cyclopentyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965206
1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4754106
4-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 17003431
(4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7366365
1-(2-fluorophenyl)-4-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003512

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one (CID 7080526) is (4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one is C=CCn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21.
What is the InChIKey of (4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is AEINTAGBIPOFHC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-2-11-23-18-10-6-4-8-16(18)22-20(23)14-12-19(25)24(13-14)17-9-5-3-7-15(17)21/h2-10,14H,1,11-13H2/t14-/m0/s1.
What are the key properties of (4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one?
(4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 335.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 7080526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).