5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-indol-1-ylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one

C34H36F2N4O2 — CID 142917809

IUPAC5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-indol-1-ylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one
SMILESCC(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(n2ccc3ccccc32)CC1
InChIInChI=1S/C34H36F2N4O2/c1-23(2)32-37-34(25-7-11-27(35)12-8-25,26-9-13-28(36)14-10-26)33(42)40(32)22-30(41)21-38-18-16-29(17-19-38)39-20-15-24-5-3-4-6-31(24)39/h3-15,20,23,29-30,41H,16-19,21-22H2,1-2H3
InChIKeyMJGSIHUXHJYWEU-UHFFFAOYSA-N
MW570.68 g/mol
LogP5.76
Rot. Bonds8

About 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-indol-1-ylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one

5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-indol-1-ylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one (PubChem CID 142917809) has the molecular formula C34H36F2N4O2 and a molecular weight of 570.68 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-indol-1-ylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-indol-1-ylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one
PubChem CID142917809
Molecular FormulaC34H36F2N4O2
Molecular Weight570.68 g/mol
Exact Mass570.28
IUPAC Name5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-indol-1-ylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one
SMILESCC(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(n2ccc3ccccc32)CC1
InChIInChI=1S/C34H36F2N4O2/c1-23(2)32-37-34(25-7-11-27(35)12-8-25,26-9-13-28(36)14-10-26)33(42)40(32)22-30(41)21-38-18-16-29(17-19-38)39-20-15-24-5-3-4-6-31(24)39/h3-15,20,23,29-30,41H,16-19,21-22H2,1-2H3
InChIKeyMJGSIHUXHJYWEU-UHFFFAOYSA-N
XLogP5.76
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.68
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one
CID 142917227
1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole
CID 23377416
1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide
CID 22038244
5,5-bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazol-4-one;2,2,2-trifluoroacetic acid
CID 10054333
5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917397
5,5-bis(4-fluorophenyl)-3-(2-hydroxypropyl)-2-thiophen-2-ylimidazol-4-one
CID 142917358
5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one
CID 10439243
1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one
CID 94392487
N-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide
CID 90845273
3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 95390025
1-[1-(1-ethylpiperidin-4-yl)indol-6-yl]ethanol
CID 174405301
3-(3-carbazol-9-yl-2-hydroxypropyl)-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 42944281

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-indol-1-ylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-indol-1-ylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one (CID 142917809) is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-indol-1-ylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-indol-1-ylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-indol-1-ylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one is CC(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(n2ccc3ccccc32)CC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-indol-1-ylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one?
The InChIKey is MJGSIHUXHJYWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F2N4O2/c1-23(2)32-37-34(25-7-11-27(35)12-8-25,26-9-13-28(36)14-10-26)33(42)40(32)22-30(41)21-38-18-16-29(17-19-38)39-20-15-24-5-3-4-6-31(24)39/h3-15,20,23,29-30,41H,16-19,21-22H2,1-2H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-indol-1-ylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one?
5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-indol-1-ylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one has a molecular weight of 570.68 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-indol-1-ylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one is sourced from PubChem (CID 142917809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).