[3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone

C20H18FN3O — CID 70731511

IUPAC[3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1ncc[nH]1)N1CCC(c2ccccc2F)C1
InChIInChI=1S/C20H18FN3O/c21-18-8-4-3-5-15(18)14-9-12-24(13-14)20(25)17-7-2-1-6-16(17)19-22-10-11-23-19/h1-8,10-11,14H,9,12-13H2,(H,22,23)
InChIKeyRRQCLHJYBMUKDW-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.85
Rot. Bonds3

About [3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone

[3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone (PubChem CID 70731511) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is [3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
PubChem CID70731511
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name[3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1ncc[nH]1)N1CCC(c2ccccc2F)C1
InChIInChI=1S/C20H18FN3O/c21-18-8-4-3-5-15(18)14-9-12-24(13-14)20(25)17-7-2-1-6-16(17)19-22-10-11-23-19/h1-8,10-11,14H,9,12-13H2,(H,22,23)
InChIKeyRRQCLHJYBMUKDW-UHFFFAOYSA-N
XLogP3.85
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone?
The IUPAC name of [3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone (CID 70731511) is [3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone.
What is the SMILES notation for [3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone?
The canonical SMILES for [3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone is O=C(c1ccccc1-c1ncc[nH]1)N1CCC(c2ccccc2F)C1.
What is the InChIKey of [3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone?
The InChIKey is RRQCLHJYBMUKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-18-8-4-3-5-15(18)14-9-12-24(13-14)20(25)17-7-2-1-6-16(17)19-22-10-11-23-19/h1-8,10-11,14H,9,12-13H2,(H,22,23).
What are the key properties of [3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone?
[3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone has a molecular weight of 335.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 70731511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).