5-(3-fluorophenyl)-5-(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one

C31H33F2N3O2 — CID 10414237

IUPAC5-(3-fluorophenyl)-5-(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
SMILESCOc1ccccc1C1CCN(CCCN2C(=O)C(c3ccc(F)cc3)(c3cccc(F)c3)N=C2C)CC1
InChIInChI=1S/C31H33F2N3O2/c1-22-34-31(24-11-13-26(32)14-12-24,25-7-5-8-27(33)21-25)30(37)36(22)18-6-17-35-19-15-23(16-20-35)28-9-3-4-10-29(28)38-2/h3-5,7-14,21,23H,6,15-20H2,1-2H3
InChIKeyNCJHVDCTQNOJQH-UHFFFAOYSA-N
MW517.62 g/mol
LogP5.75
Rot. Bonds8

About 5-(3-fluorophenyl)-5-(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one

5-(3-fluorophenyl)-5-(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one (PubChem CID 10414237) has the molecular formula C31H33F2N3O2 and a molecular weight of 517.62 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-5-(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-5-(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
PubChem CID10414237
Molecular FormulaC31H33F2N3O2
Molecular Weight517.62 g/mol
Exact Mass517.25
IUPAC Name5-(3-fluorophenyl)-5-(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
SMILESCOc1ccccc1C1CCN(CCCN2C(=O)C(c3ccc(F)cc3)(c3cccc(F)c3)N=C2C)CC1
InChIInChI=1S/C31H33F2N3O2/c1-22-34-31(24-11-13-26(32)14-12-24,25-7-5-8-27(33)21-25)30(37)36(22)18-6-17-35-19-15-23(16-20-35)28-9-3-4-10-29(28)38-2/h3-5,7-14,21,23H,6,15-20H2,1-2H3
InChIKeyNCJHVDCTQNOJQH-UHFFFAOYSA-N
XLogP5.75
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.62
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-3-[3-(2-methoxyphenyl)propyl]-5,5-diphenylimidazol-4-one;2,2,2-trifluoroacetic acid
CID 44530176
2-Amino-5,5-bis(4-methoxyphenyl)-3-(2-phenylbutyl)imidazol-4-one
CID 76310281
2-Amino-5-[3-(5-fluoro-2-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 155530168
2-Amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one
CID 138468851
3-[[1-[(5,7-Dimethyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10053732
1-methyl-cyclohexanecarboxylic acid {(1 R)-1-benzyl-2-[4-(5-fluoro-2-methoxy-phenyl)-piperidin-1-yl]-ethyl}-methylamide
CID 10162882
3-[[1-[(5-Fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10459749
3-[[1-[3-(1,3-Benzodioxol-5-yl)-2-methylpropyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10460423
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propan-2-ylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one
CID 11758004
2-Amino-5-cyclohexyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-phenylimidazol-4-one
CID 16050934
2-Butyl-3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methyl]-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 59138149
3-[(1-Acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5-methylimidazol-4-one
CID 59262482

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-5-(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one?
The IUPAC name of 5-(3-fluorophenyl)-5-(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one (CID 10414237) is 5-(3-fluorophenyl)-5-(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one.
What is the SMILES notation for 5-(3-fluorophenyl)-5-(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one?
The canonical SMILES for 5-(3-fluorophenyl)-5-(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one is COc1ccccc1C1CCN(CCCN2C(=O)C(c3ccc(F)cc3)(c3cccc(F)c3)N=C2C)CC1.
What is the InChIKey of 5-(3-fluorophenyl)-5-(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one?
The InChIKey is NCJHVDCTQNOJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F2N3O2/c1-22-34-31(24-11-13-26(32)14-12-24,25-7-5-8-27(33)21-25)30(37)36(22)18-6-17-35-19-15-23(16-20-35)28-9-3-4-10-29(28)38-2/h3-5,7-14,21,23H,6,15-20H2,1-2H3.
What are the key properties of 5-(3-fluorophenyl)-5-(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one?
5-(3-fluorophenyl)-5-(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one has a molecular weight of 517.62 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-5-(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one is sourced from PubChem (CID 10414237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).