5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one

C30H31F2N3O2 — CID 142917376

IUPAC5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C30H31F2N3O2/c1-22-33-30(23-8-12-25(31)13-9-23,24-10-14-26(32)15-11-24)29(36)35(22)19-5-18-34-20-16-28(17-21-34)37-27-6-3-2-4-7-27/h2-4,6-15,28H,5,16-21H2,1H3
InChIKeyCPKXMOGZJYWNOB-UHFFFAOYSA-N
MW503.59 g/mol
LogP5.40
Rot. Bonds8

About 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one

5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one (PubChem CID 142917376) has the molecular formula C30H31F2N3O2 and a molecular weight of 503.59 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one
PubChem CID142917376
Molecular FormulaC30H31F2N3O2
Molecular Weight503.59 g/mol
Exact Mass503.24
IUPAC Name5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C30H31F2N3O2/c1-22-33-30(23-8-12-25(31)13-9-23,24-10-14-26(32)15-11-24)29(36)35(22)19-5-18-34-20-16-28(17-21-34)37-27-6-3-2-4-7-27/h2-4,6-15,28H,5,16-21H2,1H3
InChIKeyCPKXMOGZJYWNOB-UHFFFAOYSA-N
XLogP5.40
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.59
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one
CID 44530159
2-Amino-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)-5-phenylimidazol-4-one
CID 86273112
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
2-Amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
CID 57843720
2-Butyl-3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methyl]-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 59138149
2-[3-[4-[(2-Butyl-4-oxo-1,3-diazaspiro[4.5]dec-1-en-3-yl)methyl]phenyl]-4-fluorophenoxy]acetonitrile
CID 59138206
(1S)-2-[4-(3,4-difluorophenoxy)-1-piperidinyl]-2-oxo-1-phenylethylamine
CID 69523102
3-[2-(2,3-Difluorophenyl)-2'-ethenyl-1'-methyl-5'-oxospiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]benzonitrile
CID 90710148
3-[2-(4-Fluorophenyl)-1',2'-dimethyl-5'-oxospiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]benzonitrile
CID 91413201
5-[4-(1-Fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one
CID 135215308
5,5-bis(4-fluorophenyl)-2-methyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one
CID 142917240
5,5-bis(4-fluorophenyl)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one
CID 142917274

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one (CID 142917376) is 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(Oc2ccccc2)CC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one?
The InChIKey is CPKXMOGZJYWNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N3O2/c1-22-33-30(23-8-12-25(31)13-9-23,24-10-14-26(32)15-11-24)29(36)35(22)19-5-18-34-20-16-28(17-21-34)37-27-6-3-2-4-7-27/h2-4,6-15,28H,5,16-21H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one?
5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one has a molecular weight of 503.59 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one is sourced from PubChem (CID 142917376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).