3-[cyclopropyl-(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)imidazolidine-2,4-dione

C17H17FN4O2 — CID 102563148

IUPAC3-[cyclopropyl-(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)imidazolidine-2,4-dione
SMILESCn1ccc(C2NC(=O)N(C(c3ccc(F)cc3)C3CC3)C2=O)n1
InChIInChI=1S/C17H17FN4O2/c1-21-9-8-13(20-21)14-16(23)22(17(24)19-14)15(10-2-3-10)11-4-6-12(18)7-5-11/h4-10,14-15H,2-3H2,1H3,(H,19,24)
InChIKeyBPUHGCDNANEILP-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.30
Rot. Bonds4

About 3-[cyclopropyl-(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)imidazolidine-2,4-dione

3-[cyclopropyl-(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)imidazolidine-2,4-dione (PubChem CID 102563148) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 3-[cyclopropyl-(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[cyclopropyl-(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)imidazolidine-2,4-dione
PubChem CID102563148
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name3-[cyclopropyl-(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)imidazolidine-2,4-dione
SMILESCn1ccc(C2NC(=O)N(C(c3ccc(F)cc3)C3CC3)C2=O)n1
InChIInChI=1S/C17H17FN4O2/c1-21-9-8-13(20-21)14-16(23)22(17(24)19-14)15(10-2-3-10)11-4-6-12(18)7-5-11/h4-10,14-15H,2-3H2,1H3,(H,19,24)
InChIKeyBPUHGCDNANEILP-UHFFFAOYSA-N
XLogP2.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-[cyclopropyl-(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)imidazolidine-2,4-dione (CID 102563148) is 3-[cyclopropyl-(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[cyclopropyl-(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[cyclopropyl-(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)imidazolidine-2,4-dione is Cn1ccc(C2NC(=O)N(C(c3ccc(F)cc3)C3CC3)C2=O)n1.
What is the InChIKey of 3-[cyclopropyl-(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)imidazolidine-2,4-dione?
The InChIKey is BPUHGCDNANEILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-21-9-8-13(20-21)14-16(23)22(17(24)19-14)15(10-2-3-10)11-4-6-12(18)7-5-11/h4-10,14-15H,2-3H2,1H3,(H,19,24).
What are the key properties of 3-[cyclopropyl-(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)imidazolidine-2,4-dione?
3-[cyclopropyl-(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)imidazolidine-2,4-dione has a molecular weight of 328.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 102563148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).