5,5-bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one

C29H28F3N3O — CID 142917622

IUPAC5,5-bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C29H28F3N3O/c1-20-33-29(23-4-10-26(31)11-5-23,24-6-12-27(32)13-7-24)28(36)35(20)19-18-34-16-14-22(15-17-34)21-2-8-25(30)9-3-21/h2-13,22H,14-19H2,1H3
InChIKeyKOPFFYQDGSVDDF-UHFFFAOYSA-N
MW491.56 g/mol
LogP5.49
Rot. Bonds6

About 5,5-bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one

5,5-bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one (PubChem CID 142917622) has the molecular formula C29H28F3N3O and a molecular weight of 491.56 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one
PubChem CID142917622
Molecular FormulaC29H28F3N3O
Molecular Weight491.56 g/mol
Exact Mass491.22
IUPAC Name5,5-bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C29H28F3N3O/c1-20-33-29(23-4-10-26(31)11-5-23,24-6-12-27(32)13-7-24)28(36)35(20)19-18-34-16-14-22(15-17-34)21-2-8-25(30)9-3-21/h2-13,22H,14-19H2,1H3
InChIKeyKOPFFYQDGSVDDF-UHFFFAOYSA-N
XLogP5.49
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.56
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-cyclohexyl-1-(3,5-difluorobenzyl)-4-phenyl-1H-imidazol-5(4H)-one
CID 16050834
2-amino-1-benzyl-4-cyclohexyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16051038
2-Amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one
CID 44530662
2-Amino-3-benzyl-5,5-diphenylimidazol-4-one
CID 59387062
1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-2,2-diphenylethanone
CID 997962
3H-Pyrrolo(1,2-a)imidazol-3-one, 2,5,6,7-tetrahydro-2,6-diphenyl-
CID 3059513
3-[[3-(4-Acetylpiperazine-1-carbonyl)phenyl]methyl]-5,5-bis(4-fluorophenyl)-2-imino-imidazolidin-4-one
CID 135155585
2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one
CID 164675215
7,7-Dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 164675443
5-Ethyl-2,5-diphenyl-1-(2-phenylethyl)-1,5-dihydro-4H-imidazol-4-one
CID 387713
2,5-Dimethyl-5-phenyl-1-(2-phenylethyl)-1,5-dihydro-4H-imidazol-4-one
CID 387714
1-[4-[(4-Fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 24720743

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one (CID 142917622) is 5,5-bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one?
The InChIKey is KOPFFYQDGSVDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N3O/c1-20-33-29(23-4-10-26(31)11-5-23,24-6-12-27(32)13-7-24)28(36)35(20)19-18-34-16-14-22(15-17-34)21-2-8-25(30)9-3-21/h2-13,22H,14-19H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one?
5,5-bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one has a molecular weight of 491.56 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methylimidazol-4-one is sourced from PubChem (CID 142917622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).