3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione

C18H16FN3O2 — CID 68821924

IUPAC3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione
SMILESCc1cc(F)ccc1-c1ccc(C2CC2N2C(=O)CNC2=O)cn1
InChIInChI=1S/C18H16FN3O2/c1-10-6-12(19)3-4-13(10)15-5-2-11(8-20-15)14-7-16(14)22-17(23)9-21-18(22)24/h2-6,8,14,16H,7,9H2,1H3,(H,21,24)
InChIKeyYMXBPWQQXWEJOF-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.60
Rot. Bonds3

About 3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione

3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione (PubChem CID 68821924) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione
PubChem CID68821924
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione
SMILESCc1cc(F)ccc1-c1ccc(C2CC2N2C(=O)CNC2=O)cn1
InChIInChI=1S/C18H16FN3O2/c1-10-6-12(19)3-4-13(10)15-5-2-11(8-20-15)14-7-16(14)22-17(23)9-21-18(22)24/h2-6,8,14,16H,7,9H2,1H3,(H,21,24)
InChIKeyYMXBPWQQXWEJOF-UHFFFAOYSA-N
XLogP2.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione (CID 68821924) is 3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione is Cc1cc(F)ccc1-c1ccc(C2CC2N2C(=O)CNC2=O)cn1.
What is the InChIKey of 3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione?
The InChIKey is YMXBPWQQXWEJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-10-6-12(19)3-4-13(10)15-5-2-11(8-20-15)14-7-16(14)22-17(23)9-21-18(22)24/h2-6,8,14,16H,7,9H2,1H3,(H,21,24).
What are the key properties of 3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione?
3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione has a molecular weight of 325.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 68821924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).