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

C21H18F2N4O2 — CID 10046270

IUPAC5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methoxypyridin-2-one
SMILESCOn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)ccc1=O
InChIInChI=1S/C21H18F2N4O2/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(12-14)29-2/h3-13H,1-2H3,(H,25,26)/t13-,21-/m0/s1
InChIKeyZEYKOXALDHNSKI-ZSEKCTLFSA-N
MW396.40 g/mol
LogP2.26
Rot. Bonds4

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

5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methoxypyridin-2-one (PubChem CID 10046270) has the molecular formula C21H18F2N4O2 and a molecular weight of 396.40 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-methoxypyridin-2-one.

Molecular Properties

Compound Name5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methoxypyridin-2-one
PubChem CID10046270
Molecular FormulaC21H18F2N4O2
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methoxypyridin-2-one
SMILESCOn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)ccc1=O
InChIInChI=1S/C21H18F2N4O2/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(12-14)29-2/h3-13H,1-2H3,(H,25,26)/t13-,21-/m0/s1
InChIKeyZEYKOXALDHNSKI-ZSEKCTLFSA-N
XLogP2.26
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methoxypyridin-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-methoxypyridin-2-one (CID 10046270) is 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methoxypyridin-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-methoxypyridin-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-methoxypyridin-2-one is COn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)ccc1=O.
What is the InChIKey of 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methoxypyridin-2-one?
The InChIKey is ZEYKOXALDHNSKI-ZSEKCTLFSA-N. The full InChI is InChI=1S/C21H18F2N4O2/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(12-14)29-2/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-methoxypyridin-2-one?
5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-methoxypyridin-2-one has a molecular weight of 396.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-methoxypyridin-2-one is sourced from PubChem (CID 10046270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).