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

C29H30FN3O — CID 10257420

IUPAC3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one
SMILESCC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C29H30FN3O/c1-22-31-29(24-8-4-2-5-9-24,25-10-6-3-7-11-25)28(34)33(22)27-17-20-32(21-18-27)19-16-23-12-14-26(30)15-13-23/h2-15,27H,16-21H2,1H3
InChIKeyYYWVYZBTVUOPPP-UHFFFAOYSA-N
MW455.58 g/mol
LogP5.04
Rot. Bonds6

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

3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one (PubChem CID 10257420) has the molecular formula C29H30FN3O and a molecular weight of 455.58 g/mol. Its IUPAC name is 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one
PubChem CID10257420
Molecular FormulaC29H30FN3O
Molecular Weight455.58 g/mol
Exact Mass455.24
IUPAC Name3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one
SMILESCC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C29H30FN3O/c1-22-31-29(24-8-4-2-5-9-24,25-10-6-3-7-11-25)28(34)33(22)27-17-20-32(21-18-27)19-16-23-12-14-26(30)15-13-23/h2-15,27H,16-21H2,1H3
InChIKeyYYWVYZBTVUOPPP-UHFFFAOYSA-N
XLogP5.04
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one?
The IUPAC name of 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one (CID 10257420) is 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one?
The canonical SMILES for 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one is CC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one?
The InChIKey is YYWVYZBTVUOPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O/c1-22-31-29(24-8-4-2-5-9-24,25-10-6-3-7-11-25)28(34)33(22)27-17-20-32(21-18-27)19-16-23-12-14-26(30)15-13-23/h2-15,27H,16-21H2,1H3.
What are the key properties of 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one?
3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one has a molecular weight of 455.58 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 10257420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).