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

C17H13F2N3O2 — CID 15986332

IUPAC3-[2-[6-(2,3-difluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CC1c1ccc(-c2cccc(F)c2F)nc1
InChIInChI=1S/C17H13F2N3O2/c18-12-3-1-2-10(16(12)19)13-5-4-9(7-20-13)11-6-14(11)22-15(23)8-21-17(22)24/h1-5,7,11,14H,6,8H2,(H,21,24)
InChIKeyOAMGDXCLHGZSAW-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.43
Rot. Bonds3

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

3-[2-[6-(2,3-difluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione (PubChem CID 15986332) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 3-[2-[6-(2,3-difluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[6-(2,3-difluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione
PubChem CID15986332
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name3-[2-[6-(2,3-difluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CC1c1ccc(-c2cccc(F)c2F)nc1
InChIInChI=1S/C17H13F2N3O2/c18-12-3-1-2-10(16(12)19)13-5-4-9(7-20-13)11-6-14(11)22-15(23)8-21-17(22)24/h1-5,7,11,14H,6,8H2,(H,21,24)
InChIKeyOAMGDXCLHGZSAW-UHFFFAOYSA-N
XLogP2.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.43
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-(2,3-difluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[6-(2,3-difluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione (CID 15986332) is 3-[2-[6-(2,3-difluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[6-(2,3-difluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[6-(2,3-difluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1C1CC1c1ccc(-c2cccc(F)c2F)nc1.
What is the InChIKey of 3-[2-[6-(2,3-difluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione?
The InChIKey is OAMGDXCLHGZSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-12-3-1-2-10(16(12)19)13-5-4-9(7-20-13)11-6-14(11)22-15(23)8-21-17(22)24/h1-5,7,11,14H,6,8H2,(H,21,24).
What are the key properties of 3-[2-[6-(2,3-difluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione?
3-[2-[6-(2,3-difluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione has a molecular weight of 329.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(2,3-difluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 15986332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).