5-(4-fluorocyclohexyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2,5-dimethylimidazol-4-one

C26H37F2N3O — CID 142917699

IUPAC5-(4-fluorocyclohexyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2,5-dimethylimidazol-4-one
SMILESCC1=NC(C)(C2CCC(F)CC2)C(=O)N1CCC(C)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H37F2N3O/c1-18(30-15-13-21(14-16-30)20-4-8-23(27)9-5-20)12-17-31-19(2)29-26(3,25(31)32)22-6-10-24(28)11-7-22/h4-5,8-9,18,21-22,24H,6-7,10-17H2,1-3H3
InChIKeyHVIOWODLFHDZJQ-UHFFFAOYSA-N
MW445.60 g/mol
LogP5.33
Rot. Bonds6

About 5-(4-fluorocyclohexyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2,5-dimethylimidazol-4-one

5-(4-fluorocyclohexyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2,5-dimethylimidazol-4-one (PubChem CID 142917699) has the molecular formula C26H37F2N3O and a molecular weight of 445.60 g/mol. Its IUPAC name is 5-(4-fluorocyclohexyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2,5-dimethylimidazol-4-one.

Molecular Properties

Compound Name5-(4-fluorocyclohexyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2,5-dimethylimidazol-4-one
PubChem CID142917699
Molecular FormulaC26H37F2N3O
Molecular Weight445.60 g/mol
Exact Mass445.29
IUPAC Name5-(4-fluorocyclohexyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2,5-dimethylimidazol-4-one
SMILESCC1=NC(C)(C2CCC(F)CC2)C(=O)N1CCC(C)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H37F2N3O/c1-18(30-15-13-21(14-16-30)20-4-8-23(27)9-5-20)12-17-31-19(2)29-26(3,25(31)32)22-6-10-24(28)11-7-22/h4-5,8-9,18,21-22,24H,6-7,10-17H2,1-3H3
InChIKeyHVIOWODLFHDZJQ-UHFFFAOYSA-N
XLogP5.33
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.60
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorocyclohexyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2,5-dimethylimidazol-4-one?
The IUPAC name of 5-(4-fluorocyclohexyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2,5-dimethylimidazol-4-one (CID 142917699) is 5-(4-fluorocyclohexyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2,5-dimethylimidazol-4-one.
What is the SMILES notation for 5-(4-fluorocyclohexyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2,5-dimethylimidazol-4-one?
The canonical SMILES for 5-(4-fluorocyclohexyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2,5-dimethylimidazol-4-one is CC1=NC(C)(C2CCC(F)CC2)C(=O)N1CCC(C)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-(4-fluorocyclohexyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2,5-dimethylimidazol-4-one?
The InChIKey is HVIOWODLFHDZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37F2N3O/c1-18(30-15-13-21(14-16-30)20-4-8-23(27)9-5-20)12-17-31-19(2)29-26(3,25(31)32)22-6-10-24(28)11-7-22/h4-5,8-9,18,21-22,24H,6-7,10-17H2,1-3H3.
What are the key properties of 5-(4-fluorocyclohexyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2,5-dimethylimidazol-4-one?
5-(4-fluorocyclohexyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2,5-dimethylimidazol-4-one has a molecular weight of 445.60 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorocyclohexyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2,5-dimethylimidazol-4-one is sourced from PubChem (CID 142917699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).