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

C20H16F2N4O — CID 54580488

IUPAC4-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1H-pyridin-2-one
SMILESC[C@@H]1N=C(c2cc[nH]c(=O)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1
InChIInChI=1S/C20H16F2N4O/c1-12-20(14-2-5-16(21)6-3-14,15-4-7-17(22)24-11-15)26-19(25-12)13-8-9-23-18(27)10-13/h2-12H,1H3,(H,23,27)(H,25,26)/t12-,20-/m0/s1
InChIKeyJCZGGLMZFMKEMJ-YUNKPMOVSA-N
MW366.37 g/mol
LogP2.73
Rot. Bonds3

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

4-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 54580488) has the molecular formula C20H16F2N4O and a molecular weight of 366.37 g/mol. Its IUPAC name is 4-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1H-pyridin-2-one
PubChem CID54580488
Molecular FormulaC20H16F2N4O
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC Name4-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1H-pyridin-2-one
SMILESC[C@@H]1N=C(c2cc[nH]c(=O)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1
InChIInChI=1S/C20H16F2N4O/c1-12-20(14-2-5-16(21)6-3-14,15-4-7-17(22)24-11-15)26-19(25-12)13-8-9-23-18(27)10-13/h2-12H,1H3,(H,23,27)(H,25,26)/t12-,20-/m0/s1
InChIKeyJCZGGLMZFMKEMJ-YUNKPMOVSA-N
XLogP2.73
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1H-pyridin-2-one (CID 54580488) is 4-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1H-pyridin-2-one is C[C@@H]1N=C(c2cc[nH]c(=O)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1.
What is the InChIKey of 4-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is JCZGGLMZFMKEMJ-YUNKPMOVSA-N. The full InChI is InChI=1S/C20H16F2N4O/c1-12-20(14-2-5-16(21)6-3-14,15-4-7-17(22)24-11-15)26-19(25-12)13-8-9-23-18(27)10-13/h2-12H,1H3,(H,23,27)(H,25,26)/t12-,20-/m0/s1.
What are the key properties of 4-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1H-pyridin-2-one?
4-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 366.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 54580488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).