5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one

C21H18F2N4O — CID 10045322

IUPAC5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one
SMILESC[C@@H]1N=C(c2ccc(=O)n(C)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1
InChIInChI=1S/C21H18F2N4O/c1-13-21(15-4-7-17(22)8-5-15,16-6-9-18(23)24-11-16)26-20(25-13)14-3-10-19(28)27(2)12-14/h3-13H,1-2H3,(H,25,26)/t13-,21-/m0/s1
InChIKeyBDYBUJFDECYUHB-ZSEKCTLFSA-N
MW380.40 g/mol
LogP2.74
Rot. Bonds3

About 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one

5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one (PubChem CID 10045322) has the molecular formula C21H18F2N4O and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one
PubChem CID10045322
Molecular FormulaC21H18F2N4O
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one
SMILESC[C@@H]1N=C(c2ccc(=O)n(C)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1
InChIInChI=1S/C21H18F2N4O/c1-13-21(15-4-7-17(22)8-5-15,16-6-9-18(23)24-11-16)26-20(25-13)14-3-10-19(28)27(2)12-14/h3-13H,1-2H3,(H,25,26)/t13-,21-/m0/s1
InChIKeyBDYBUJFDECYUHB-ZSEKCTLFSA-N
XLogP2.74
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-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-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one (CID 10045322) is 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one is C[C@@H]1N=C(c2ccc(=O)n(C)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1.
What is the InChIKey of 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one?
The InChIKey is BDYBUJFDECYUHB-ZSEKCTLFSA-N. The full InChI is InChI=1S/C21H18F2N4O/c1-13-21(15-4-7-17(22)8-5-15,16-6-9-18(23)24-11-16)26-20(25-13)14-3-10-19(28)27(2)12-14/h3-13H,1-2H3,(H,25,26)/t13-,21-/m0/s1.
What are the key properties of 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one?
5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one has a molecular weight of 380.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 10045322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).