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

C22H18F4N4O — CID 10432823

IUPAC1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methylpyridin-2-one
SMILESCc1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)cn(C(F)F)c1=O
InChIInChI=1S/C22H18F4N4O/c1-12-9-14(11-30(20(12)31)21(25)26)19-28-13(2)22(29-19,15-3-6-17(23)7-4-15)16-5-8-18(24)27-10-16/h3-11,13,21H,1-2H3,(H,28,29)/t13-,22-/m0/s1
InChIKeyDIRNPXCNIBEJRX-XMHCIUCPSA-N
MW430.41 g/mol
LogP3.91
Rot. Bonds4

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

1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methylpyridin-2-one (PubChem CID 10432823) has the molecular formula C22H18F4N4O and a molecular weight of 430.41 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]-3-methylpyridin-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]-3-methylpyridin-2-one
PubChem CID10432823
Molecular FormulaC22H18F4N4O
Molecular Weight430.41 g/mol
Exact Mass430.14
IUPAC Name1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methylpyridin-2-one
SMILESCc1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)cn(C(F)F)c1=O
InChIInChI=1S/C22H18F4N4O/c1-12-9-14(11-30(20(12)31)21(25)26)19-28-13(2)22(29-19,15-3-6-17(23)7-4-15)16-5-8-18(24)27-10-16/h3-11,13,21H,1-2H3,(H,28,29)/t13-,22-/m0/s1
InChIKeyDIRNPXCNIBEJRX-XMHCIUCPSA-N
XLogP3.91
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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]-3-methylpyridin-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]-3-methylpyridin-2-one (CID 10432823) is 1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methylpyridin-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]-3-methylpyridin-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]-3-methylpyridin-2-one is Cc1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)cn(C(F)F)c1=O.
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]-3-methylpyridin-2-one?
The InChIKey is DIRNPXCNIBEJRX-XMHCIUCPSA-N. The full InChI is InChI=1S/C22H18F4N4O/c1-12-9-14(11-30(20(12)31)21(25)26)19-28-13(2)22(29-19,15-3-6-17(23)7-4-15)16-5-8-18(24)27-10-16/h3-11,13,21H,1-2H3,(H,28,29)/t13-,22-/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]-3-methylpyridin-2-one?
1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methylpyridin-2-one has a molecular weight of 430.41 g/mol, XLogP of 3.91, 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]-3-methylpyridin-2-one is sourced from PubChem (CID 10432823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).