3-[3-(4-amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one

C30H32F2N4O — CID 142917520

IUPAC3-[3-(4-amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(N)(c2ccccc2)CC1
InChIInChI=1S/C30H32F2N4O/c1-22-34-30(24-8-12-26(31)13-9-24,25-10-14-27(32)15-11-25)28(37)36(22)19-5-18-35-20-16-29(33,17-21-35)23-6-3-2-4-7-23/h2-4,6-15H,5,16-21,33H2,1H3
InChIKeyYCQDSCCATSRXRL-UHFFFAOYSA-N
MW502.61 g/mol
LogP4.81
Rot. Bonds7

About 3-[3-(4-amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one

3-[3-(4-amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one (PubChem CID 142917520) has the molecular formula C30H32F2N4O and a molecular weight of 502.61 g/mol. Its IUPAC name is 3-[3-(4-amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one.

Molecular Properties

Compound Name3-[3-(4-amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
PubChem CID142917520
Molecular FormulaC30H32F2N4O
Molecular Weight502.61 g/mol
Exact Mass502.25
IUPAC Name3-[3-(4-amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(N)(c2ccccc2)CC1
InChIInChI=1S/C30H32F2N4O/c1-22-34-30(24-8-12-26(31)13-9-24,25-10-14-27(32)15-11-25)28(37)36(22)19-5-18-35-20-16-29(33,17-21-35)23-6-3-2-4-7-23/h2-4,6-15H,5,16-21,33H2,1H3
InChIKeyYCQDSCCATSRXRL-UHFFFAOYSA-N
XLogP4.81
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.61
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one
CID 44530662
2-Amino-3-benzyl-5,5-diphenylimidazol-4-one
CID 59387062
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-4-methyl-N-(1,4,4-trimethyl-6-oxo-2-phenyl-5H-pyrimidin-5-yl)pentanamide
CID 44344993
3-[[3-(4-Acetylpiperazine-1-carbonyl)-5-fluoro-phenyl]methyl]-2-imino-5,5-diphenyl-imidazolidin-4-one
CID 130357694
3-[[3-(4-Acetylpiperazine-1-carbonyl)phenyl]methyl]-5,5-bis(4-fluorophenyl)-2-imino-imidazolidin-4-one
CID 135155585
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)azetidin-3-yl]methyl]imidazol-4-one
CID 9985540
5,5-Bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one
CID 10028237
3-[[1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10053788
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]imidazol-4-one
CID 10054089
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazol-4-one
CID 10054334
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]imidazol-4-one
CID 10054547

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The IUPAC name of 3-[3-(4-amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one (CID 142917520) is 3-[3-(4-amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one.
What is the SMILES notation for 3-[3-(4-amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The canonical SMILES for 3-[3-(4-amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(N)(c2ccccc2)CC1.
What is the InChIKey of 3-[3-(4-amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The InChIKey is YCQDSCCATSRXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N4O/c1-22-34-30(24-8-12-26(31)13-9-24,25-10-14-27(32)15-11-25)28(37)36(22)19-5-18-35-20-16-29(33,17-21-35)23-6-3-2-4-7-23/h2-4,6-15H,5,16-21,33H2,1H3.
What are the key properties of 3-[3-(4-amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
3-[3-(4-amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one has a molecular weight of 502.61 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-amino-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one is sourced from PubChem (CID 142917520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).