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

C21H18F2N4O — CID 54580489

IUPAC6-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methyl-1H-pyridin-2-one
SMILESCc1ccc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)[nH]c1=O
InChIInChI=1S/C21H18F2N4O/c1-12-3-9-17(26-20(12)28)19-25-13(2)21(27-19,14-4-7-16(22)8-5-14)15-6-10-18(23)24-11-15/h3-11,13H,1-2H3,(H,25,27)(H,26,28)/t13-,21-/m0/s1
InChIKeySEMWMDKBYYETPU-ZSEKCTLFSA-N
MW380.40 g/mol
LogP3.04
Rot. Bonds3

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

6-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methyl-1H-pyridin-2-one (PubChem CID 54580489) has the molecular formula C21H18F2N4O and a molecular weight of 380.40 g/mol. Its IUPAC name is 6-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methyl-1H-pyridin-2-one
PubChem CID54580489
Molecular FormulaC21H18F2N4O
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name6-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methyl-1H-pyridin-2-one
SMILESCc1ccc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)[nH]c1=O
InChIInChI=1S/C21H18F2N4O/c1-12-3-9-17(26-20(12)28)19-25-13(2)21(27-19,14-4-7-16(22)8-5-14)15-6-10-18(23)24-11-15/h3-11,13H,1-2H3,(H,25,27)(H,26,28)/t13-,21-/m0/s1
InChIKeySEMWMDKBYYETPU-ZSEKCTLFSA-N
XLogP3.04
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.04
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 6-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methyl-1H-pyridin-2-one?
The IUPAC name of 6-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methyl-1H-pyridin-2-one (CID 54580489) is 6-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methyl-1H-pyridin-2-one is Cc1ccc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)[nH]c1=O.
What is the InChIKey of 6-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methyl-1H-pyridin-2-one?
The InChIKey is SEMWMDKBYYETPU-ZSEKCTLFSA-N. The full InChI is InChI=1S/C21H18F2N4O/c1-12-3-9-17(26-20(12)28)19-25-13(2)21(27-19,14-4-7-16(22)8-5-14)15-6-10-18(23)24-11-15/h3-11,13H,1-2H3,(H,25,27)(H,26,28)/t13-,21-/m0/s1.
What are the key properties of 6-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methyl-1H-pyridin-2-one?
6-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methyl-1H-pyridin-2-one has a molecular weight of 380.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54580489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).