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

C21H16F4N4O — CID 10047509

IUPAC1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one
SMILESC[C@@H]1N=C(c2ccc(=O)n(C(F)F)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1
InChIInChI=1S/C21H16F4N4O/c1-12-21(14-3-6-16(22)7-4-14,15-5-8-17(23)26-10-15)28-19(27-12)13-2-9-18(30)29(11-13)20(24)25/h2-12,20H,1H3,(H,27,28)/t12-,21-/m0/s1
InChIKeyMUTOQFPGGSSVLM-QKVFXAPYSA-N
MW416.38 g/mol
LogP3.60
Rot. Bonds4

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

1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one (PubChem CID 10047509) has the molecular formula C21H16F4N4O and a molecular weight of 416.38 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one
PubChem CID10047509
Molecular FormulaC21H16F4N4O
Molecular Weight416.38 g/mol
Exact Mass416.13
IUPAC Name1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one
SMILESC[C@@H]1N=C(c2ccc(=O)n(C(F)F)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1
InChIInChI=1S/C21H16F4N4O/c1-12-21(14-3-6-16(22)7-4-14,15-5-8-17(23)26-10-15)28-19(27-12)13-2-9-18(30)29(11-13)20(24)25/h2-12,20H,1H3,(H,27,28)/t12-,21-/m0/s1
InChIKeyMUTOQFPGGSSVLM-QKVFXAPYSA-N
XLogP3.60
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-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

Related Compounds

2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 447221
3-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridyl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]benzonitrile
CID 44139479
2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-N-pyridin-2-ylmethyl-acetamide
CID 9842688
3-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl)pyridine
CID 9880835
2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(4-methyl-pyridin-2-ylmethyl)-acetamide
CID 9954289
5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3-yl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-1-methylpyridin-2(1H)-one
CID 10045322
5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3-yl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-1-methoxypyridin-2(1H)-one
CID 10046270
(E)-3-(2-fluorophenyl)-N-[(1S)-1-[3-(6-fluoro-3-pyridinyl)phenyl]ethyl]prop-2-enamide
CID 10270128
1-Ethyl-5-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoropyridin-3-yl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-3-methylpyridin-2(1H)-one
CID 10341402
1-Ethyl-5-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoropyridin-3-yl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]pyridin-2(1H)-one
CID 10363209
5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3-yl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-1-propylpyridin-2(1H)-one
CID 10364093
1-(Difluoromethyl)-5-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoropyridin-3-yl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-3-methylpyridin-2(1H)-one
CID 10432823

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one (CID 10047509) is 1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one is C[C@@H]1N=C(c2ccc(=O)n(C(F)F)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1.
What is the InChIKey of 1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one?
The InChIKey is MUTOQFPGGSSVLM-QKVFXAPYSA-N. The full InChI is InChI=1S/C21H16F4N4O/c1-12-21(14-3-6-16(22)7-4-14,15-5-8-17(23)26-10-15)28-19(27-12)13-2-9-18(30)29(11-13)20(24)25/h2-12,20H,1H3,(H,27,28)/t12-,21-/m0/s1.
What are the key properties of 1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one?
1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one has a molecular weight of 416.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one is sourced from PubChem (CID 10047509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).