3-[(1S,2R)-2-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione

C18H16FN3O2 — CID 59759869

IUPAC3-[(1S,2R)-2-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione
SMILESCc1ccc(-c2ccc([C@H]3C[C@@H]3N3C(=O)CNC3=O)cn2)cc1F
InChIInChI=1S/C18H16FN3O2/c1-10-2-3-11(6-14(10)19)15-5-4-12(8-20-15)13-7-16(13)22-17(23)9-21-18(22)24/h2-6,8,13,16H,7,9H2,1H3,(H,21,24)/t13-,16+/m1/s1
InChIKeyUJRDLUGOGSOSNZ-CJNGLKHVSA-N
MW325.34 g/mol
LogP2.60
Rot. Bonds3

About 3-[(1S,2R)-2-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione

3-[(1S,2R)-2-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione (PubChem CID 59759869) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-[(1S,2R)-2-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(1S,2R)-2-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione
PubChem CID59759869
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-[(1S,2R)-2-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione
SMILESCc1ccc(-c2ccc([C@H]3C[C@@H]3N3C(=O)CNC3=O)cn2)cc1F
InChIInChI=1S/C18H16FN3O2/c1-10-2-3-11(6-14(10)19)15-5-4-12(8-20-15)13-7-16(13)22-17(23)9-21-18(22)24/h2-6,8,13,16H,7,9H2,1H3,(H,21,24)/t13-,16+/m1/s1
InChIKeyUJRDLUGOGSOSNZ-CJNGLKHVSA-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'}

Analyze 3-[(1S,2R)-2-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R)-2-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(1S,2R)-2-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione (CID 59759869) is 3-[(1S,2R)-2-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(1S,2R)-2-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(1S,2R)-2-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione is Cc1ccc(-c2ccc([C@H]3C[C@@H]3N3C(=O)CNC3=O)cn2)cc1F.
What is the InChIKey of 3-[(1S,2R)-2-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione?
The InChIKey is UJRDLUGOGSOSNZ-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-10-2-3-11(6-14(10)19)15-5-4-12(8-20-15)13-7-16(13)22-17(23)9-21-18(22)24/h2-6,8,13,16H,7,9H2,1H3,(H,21,24)/t13-,16+/m1/s1.
What are the key properties of 3-[(1S,2R)-2-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione?
3-[(1S,2R)-2-[6-(3-fluoro-4-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-[(1S,2R)-2-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 59759869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).