3-(1-tert-butylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-2-one

C18H24FN3O — CID 58964803

IUPAC3-(1-tert-butylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-2-one
SMILESCC(C)(C)N1CCC(n2cc(-c3ccc(F)cc3)[nH]c2=O)CC1
InChIInChI=1S/C18H24FN3O/c1-18(2,3)21-10-8-15(9-11-21)22-12-16(20-17(22)23)13-4-6-14(19)7-5-13/h4-7,12,15H,8-11H2,1-3H3,(H,20,23)
InChIKeySCLYUQDHLAHRKW-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.42
Rot. Bonds2

About 3-(1-tert-butylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-2-one

3-(1-tert-butylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-2-one (PubChem CID 58964803) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-(1-tert-butylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-tert-butylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-2-one
PubChem CID58964803
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name3-(1-tert-butylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-2-one
SMILESCC(C)(C)N1CCC(n2cc(-c3ccc(F)cc3)[nH]c2=O)CC1
InChIInChI=1S/C18H24FN3O/c1-18(2,3)21-10-8-15(9-11-21)22-12-16(20-17(22)23)13-4-6-14(19)7-5-13/h4-7,12,15H,8-11H2,1-3H3,(H,20,23)
InChIKeySCLYUQDHLAHRKW-UHFFFAOYSA-N
XLogP3.42
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(1-tert-butylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-2-one (CID 58964803) is 3-(1-tert-butylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-tert-butylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(1-tert-butylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-2-one is CC(C)(C)N1CCC(n2cc(-c3ccc(F)cc3)[nH]c2=O)CC1.
What is the InChIKey of 3-(1-tert-butylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-2-one?
The InChIKey is SCLYUQDHLAHRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-18(2,3)21-10-8-15(9-11-21)22-12-16(20-17(22)23)13-4-6-14(19)7-5-13/h4-7,12,15H,8-11H2,1-3H3,(H,20,23).
What are the key properties of 3-(1-tert-butylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-2-one?
3-(1-tert-butylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-2-one has a molecular weight of 317.41 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-2-one is sourced from PubChem (CID 58964803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).