1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one

C17H14ClF3N4O — CID 66576972

IUPAC1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
SMILESO=C1N(c2cc(Cl)nc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C17H14ClF3N4O/c18-15-8-11(7-14(23-15)17(19,20)21)24-5-6-25(16(24)26)13-9-22-4-3-12(13)10-1-2-10/h3-4,7-10H,1-2,5-6H2
InChIKeyVFRFKPNXAAMJIR-UHFFFAOYSA-N
MW382.77 g/mol
LogP4.47
Rot. Bonds3

About 1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one

1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one (PubChem CID 66576972) has the molecular formula C17H14ClF3N4O and a molecular weight of 382.77 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
PubChem CID66576972
Molecular FormulaC17H14ClF3N4O
Molecular Weight382.77 g/mol
Exact Mass382.08
IUPAC Name1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
SMILESO=C1N(c2cc(Cl)nc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C17H14ClF3N4O/c18-15-8-11(7-14(23-15)17(19,20)21)24-5-6-25(16(24)26)13-9-22-4-3-12(13)10-1-2-10/h3-4,7-10H,1-2,5-6H2
InChIKeyVFRFKPNXAAMJIR-UHFFFAOYSA-N
XLogP4.47
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one (CID 66576972) is 1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one is O=C1N(c2cc(Cl)nc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The InChIKey is VFRFKPNXAAMJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O/c18-15-8-11(7-14(23-15)17(19,20)21)24-5-6-25(16(24)26)13-9-22-4-3-12(13)10-1-2-10/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one has a molecular weight of 382.77 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 66576972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).