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

C22H20F2N4O — CID 10363209

IUPAC1-ethyl-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one
SMILESCCn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)ccc1=O
InChIInChI=1S/C22H20F2N4O/c1-3-28-13-15(4-11-20(28)29)21-26-14(2)22(27-21,16-5-8-18(23)9-6-16)17-7-10-19(24)25-12-17/h4-14H,3H2,1-2H3,(H,26,27)/t14-,22-/m0/s1
InChIKeyAGILSCYONDSASQ-FPTDNZKUSA-N
MW394.43 g/mol
LogP3.22
Rot. Bonds4

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

1-ethyl-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one (PubChem CID 10363209) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 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]pyridin-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]pyridin-2-one
PubChem CID10363209
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name1-ethyl-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one
SMILESCCn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)ccc1=O
InChIInChI=1S/C22H20F2N4O/c1-3-28-13-15(4-11-20(28)29)21-26-14(2)22(27-21,16-5-8-18(23)9-6-16)17-7-10-19(24)25-12-17/h4-14H,3H2,1-2H3,(H,26,27)/t14-,22-/m0/s1
InChIKeyAGILSCYONDSASQ-FPTDNZKUSA-N
XLogP3.22
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.22
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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Related Compounds

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2-[(5S)-4,4-Bis(4-fluorophenyl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinecarbonitrile
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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]pyridin-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]pyridin-2-one (CID 10363209) is 1-ethyl-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-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]pyridin-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]pyridin-2-one is CCn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)ccc1=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]pyridin-2-one?
The InChIKey is AGILSCYONDSASQ-FPTDNZKUSA-N. The full InChI is InChI=1S/C22H20F2N4O/c1-3-28-13-15(4-11-20(28)29)21-26-14(2)22(27-21,16-5-8-18(23)9-6-16)17-7-10-19(24)25-12-17/h4-14H,3H2,1-2H3,(H,26,27)/t14-,22-/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]pyridin-2-one?
1-ethyl-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one has a molecular weight of 394.43 g/mol, XLogP of 3.22, 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]pyridin-2-one is sourced from PubChem (CID 10363209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).