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

C23H22F2N4O — CID 11742181

IUPAC5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)ccc1=O
InChIInChI=1S/C23H22F2N4O/c1-14(2)29-13-16(4-11-21(29)30)22-27-15(3)23(28-22,17-5-8-19(24)9-6-17)18-7-10-20(25)26-12-18/h4-15H,1-3H3,(H,27,28)/t15-,23-/m0/s1
InChIKeyHSDSMAIMLPGKQY-WNSKOXEYSA-N
MW408.45 g/mol
LogP3.78
Rot. Bonds4

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

5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 11742181) has the molecular formula C23H22F2N4O and a molecular weight of 408.45 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-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propan-2-ylpyridin-2-one
PubChem CID11742181
Molecular FormulaC23H22F2N4O
Molecular Weight408.45 g/mol
Exact Mass408.18
IUPAC Name5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)ccc1=O
InChIInChI=1S/C23H22F2N4O/c1-14(2)29-13-16(4-11-21(29)30)22-27-15(3)23(28-22,17-5-8-19(24)9-6-17)18-7-10-20(25)26-12-18/h4-15H,1-3H3,(H,27,28)/t15-,23-/m0/s1
InChIKeyHSDSMAIMLPGKQY-WNSKOXEYSA-N
XLogP3.78
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.78
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 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propan-2-ylpyridin-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-propan-2-ylpyridin-2-one (CID 11742181) is 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propan-2-ylpyridin-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-propan-2-ylpyridin-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-propan-2-ylpyridin-2-one is CC(C)n1cc(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-propan-2-ylpyridin-2-one?
The InChIKey is HSDSMAIMLPGKQY-WNSKOXEYSA-N. The full InChI is InChI=1S/C23H22F2N4O/c1-14(2)29-13-16(4-11-21(29)30)22-27-15(3)23(28-22,17-5-8-19(24)9-6-17)18-7-10-20(25)26-12-18/h4-15H,1-3H3,(H,27,28)/t15-,23-/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-propan-2-ylpyridin-2-one?
5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 408.45 g/mol, XLogP of 3.78, 4 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-propan-2-ylpyridin-2-one is sourced from PubChem (CID 11742181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).