5-(4-fluorophenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1H-imidazol-2-one

C17H22FN3O — CID 58885043

IUPAC5-(4-fluorophenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1H-imidazol-2-one
SMILESCC(C)N1CCC(n2cc(-c3ccc(F)cc3)[nH]c2=O)CC1
InChIInChI=1S/C17H22FN3O/c1-12(2)20-9-7-15(8-10-20)21-11-16(19-17(21)22)13-3-5-14(18)6-4-13/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,22)
InChIKeyGNPHTVQECTTXAY-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.03
Rot. Bonds3

About 5-(4-fluorophenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1H-imidazol-2-one

5-(4-fluorophenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1H-imidazol-2-one (PubChem CID 58885043) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1H-imidazol-2-one
PubChem CID58885043
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name5-(4-fluorophenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1H-imidazol-2-one
SMILESCC(C)N1CCC(n2cc(-c3ccc(F)cc3)[nH]c2=O)CC1
InChIInChI=1S/C17H22FN3O/c1-12(2)20-9-7-15(8-10-20)21-11-16(19-17(21)22)13-3-5-14(18)6-4-13/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,22)
InChIKeyGNPHTVQECTTXAY-UHFFFAOYSA-N
XLogP3.03
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1H-imidazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1H-imidazol-2-one (CID 58885043) is 5-(4-fluorophenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1H-imidazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1H-imidazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1H-imidazol-2-one is CC(C)N1CCC(n2cc(-c3ccc(F)cc3)[nH]c2=O)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1H-imidazol-2-one?
The InChIKey is GNPHTVQECTTXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-12(2)20-9-7-15(8-10-20)21-11-16(19-17(21)22)13-3-5-14(18)6-4-13/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,22).
What are the key properties of 5-(4-fluorophenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1H-imidazol-2-one?
5-(4-fluorophenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1H-imidazol-2-one has a molecular weight of 303.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1H-imidazol-2-one is sourced from PubChem (CID 58885043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).