3-[(1S,2R)-2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione

C17H12F3N3O2 — CID 59759849

IUPAC3-[(1S,2R)-2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1[C@H]1C[C@@H]1c1ccc(-c2cc(F)c(F)c(F)c2)nc1
InChIInChI=1S/C17H12F3N3O2/c18-11-3-9(4-12(19)16(11)20)13-2-1-8(6-21-13)10-5-14(10)23-15(24)7-22-17(23)25/h1-4,6,10,14H,5,7H2,(H,22,25)/t10-,14+/m1/s1
InChIKeyXSKBFGKRBSXNOS-YGRLFVJLSA-N
MW347.30 g/mol
LogP2.57
Rot. Bonds3

About 3-[(1S,2R)-2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione

3-[(1S,2R)-2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione (PubChem CID 59759849) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 3-[(1S,2R)-2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(1S,2R)-2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione
PubChem CID59759849
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name3-[(1S,2R)-2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1[C@H]1C[C@@H]1c1ccc(-c2cc(F)c(F)c(F)c2)nc1
InChIInChI=1S/C17H12F3N3O2/c18-11-3-9(4-12(19)16(11)20)13-2-1-8(6-21-13)10-5-14(10)23-15(24)7-22-17(23)25/h1-4,6,10,14H,5,7H2,(H,22,25)/t10-,14+/m1/s1
InChIKeyXSKBFGKRBSXNOS-YGRLFVJLSA-N
XLogP2.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R)-2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(1S,2R)-2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione (CID 59759849) is 3-[(1S,2R)-2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(1S,2R)-2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(1S,2R)-2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1[C@H]1C[C@@H]1c1ccc(-c2cc(F)c(F)c(F)c2)nc1.
What is the InChIKey of 3-[(1S,2R)-2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione?
The InChIKey is XSKBFGKRBSXNOS-YGRLFVJLSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-11-3-9(4-12(19)16(11)20)13-2-1-8(6-21-13)10-5-14(10)23-15(24)7-22-17(23)25/h1-4,6,10,14H,5,7H2,(H,22,25)/t10-,14+/m1/s1.
What are the key properties of 3-[(1S,2R)-2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione?
3-[(1S,2R)-2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione has a molecular weight of 347.30 g/mol, XLogP of 2.57, 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-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 59759849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).