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

C23H22F2N4O — CID 10341402

IUPAC1-ethyl-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methylpyridin-2-one
SMILESCCn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)cc(C)c1=O
InChIInChI=1S/C23H22F2N4O/c1-4-29-13-16(11-14(2)22(29)30)21-27-15(3)23(28-21,17-5-8-19(24)9-6-17)18-7-10-20(25)26-12-18/h5-13,15H,4H2,1-3H3,(H,27,28)/t15-,23-/m0/s1
InChIKeyWQOIBEIDPNPUJJ-WNSKOXEYSA-N
MW408.45 g/mol
LogP3.53
Rot. Bonds4

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

1-ethyl-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methylpyridin-2-one (PubChem CID 10341402) has the molecular formula C23H22F2N4O and a molecular weight of 408.45 g/mol. Its IUPAC name is 1-ethyl-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-ethyl-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methylpyridin-2-one
PubChem CID10341402
Molecular FormulaC23H22F2N4O
Molecular Weight408.45 g/mol
Exact Mass408.18
IUPAC Name1-ethyl-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methylpyridin-2-one
SMILESCCn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)cc(C)c1=O
InChIInChI=1S/C23H22F2N4O/c1-4-29-13-16(11-14(2)22(29)30)21-27-15(3)23(28-21,17-5-8-19(24)9-6-17)18-7-10-20(25)26-12-18/h5-13,15H,4H2,1-3H3,(H,27,28)/t15-,23-/m0/s1
InChIKeyWQOIBEIDPNPUJJ-WNSKOXEYSA-N
XLogP3.53
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 ≤ 53.53
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-ethyl-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-ethyl-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methylpyridin-2-one (CID 10341402) is 1-ethyl-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-ethyl-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-ethyl-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methylpyridin-2-one is CCn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)cc(C)c1=O.
What is the InChIKey of 1-ethyl-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 WQOIBEIDPNPUJJ-WNSKOXEYSA-N. The full InChI is InChI=1S/C23H22F2N4O/c1-4-29-13-16(11-14(2)22(29)30)21-27-15(3)23(28-21,17-5-8-19(24)9-6-17)18-7-10-20(25)26-12-18/h5-13,15H,4H2,1-3H3,(H,27,28)/t15-,23-/m0/s1.
What are the key properties of 1-ethyl-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methylpyridin-2-one?
1-ethyl-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 408.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-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 10341402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).