5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one

C21H21F2N3O — CID 10028237

IUPAC5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC1CCNC1
InChIInChI=1S/C21H21F2N3O/c1-14-25-21(16-2-6-18(22)7-3-16,17-4-8-19(23)9-5-17)20(27)26(14)13-15-10-11-24-12-15/h2-9,15,24H,10-13H2,1H3
InChIKeyYKNPPYVHNNIUQY-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.08
Rot. Bonds4

About 5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one

5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one (PubChem CID 10028237) has the molecular formula C21H21F2N3O and a molecular weight of 369.42 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one
PubChem CID10028237
Molecular FormulaC21H21F2N3O
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC1CCNC1
InChIInChI=1S/C21H21F2N3O/c1-14-25-21(16-2-6-18(22)7-3-16,17-4-8-19(23)9-5-17)20(27)26(14)13-15-10-11-24-12-15/h2-9,15,24H,10-13H2,1H3
InChIKeyYKNPPYVHNNIUQY-UHFFFAOYSA-N
XLogP3.08
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one 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 5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one (CID 10028237) is 5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC1CCNC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one?
The InChIKey is YKNPPYVHNNIUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O/c1-14-25-21(16-2-6-18(22)7-3-16,17-4-8-19(23)9-5-17)20(27)26(14)13-15-10-11-24-12-15/h2-9,15,24H,10-13H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one?
5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one has a molecular weight of 369.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one is sourced from PubChem (CID 10028237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).