5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one

C34H33F2N3O — CID 10439243

IUPAC5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2cccc(F)c2)C(=O)N1CCCN1CCC(c2cccc3ccccc23)CC1
InChIInChI=1S/C34H33F2N3O/c1-24-37-34(27-13-15-29(35)16-14-27,28-9-5-10-30(36)23-28)33(40)39(24)20-6-19-38-21-17-26(18-22-38)32-12-4-8-25-7-2-3-11-31(25)32/h2-5,7-16,23,26H,6,17-22H2,1H3
InChIKeyLPKMCNDEYOTHAX-UHFFFAOYSA-N
MW537.65 g/mol
LogP6.89
Rot. Bonds7

About 5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one

5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one (PubChem CID 10439243) has the molecular formula C34H33F2N3O and a molecular weight of 537.65 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one
PubChem CID10439243
Molecular FormulaC34H33F2N3O
Molecular Weight537.65 g/mol
Exact Mass537.26
IUPAC Name5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2cccc(F)c2)C(=O)N1CCCN1CCC(c2cccc3ccccc23)CC1
InChIInChI=1S/C34H33F2N3O/c1-24-37-34(27-13-15-29(35)16-14-27,28-9-5-10-30(36)23-28)33(40)39(24)20-6-19-38-21-17-26(18-22-38)32-12-4-8-25-7-2-3-11-31(25)32/h2-5,7-16,23,26H,6,17-22H2,1H3
InChIKeyLPKMCNDEYOTHAX-UHFFFAOYSA-N
XLogP6.89
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.65
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one?
The IUPAC name of 5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one (CID 10439243) is 5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one.
What is the SMILES notation for 5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one?
The canonical SMILES for 5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2cccc(F)c2)C(=O)N1CCCN1CCC(c2cccc3ccccc23)CC1.
What is the InChIKey of 5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one?
The InChIKey is LPKMCNDEYOTHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F2N3O/c1-24-37-34(27-13-15-29(35)16-14-27,28-9-5-10-30(36)23-28)33(40)39(24)20-6-19-38-21-17-26(18-22-38)32-12-4-8-25-7-2-3-11-31(25)32/h2-5,7-16,23,26H,6,17-22H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one?
5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one has a molecular weight of 537.65 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one is sourced from PubChem (CID 10439243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).