3-(4-cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one

C17H15F3N4O — CID 90332290

IUPAC3-(4-cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one
SMILESO=C1N(c2ccncc2)CC(C(F)(F)F)N1c1cnccc1C1CC1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)15-10-23(12-3-6-21-7-4-12)16(25)24(15)14-9-22-8-5-13(14)11-1-2-11/h3-9,11,15H,1-2,10H2
InChIKeyXSXXLJGIRHIUPL-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.73
Rot. Bonds3

About 3-(4-cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one

3-(4-cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one (PubChem CID 90332290) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 3-(4-cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one.

Molecular Properties

Compound Name3-(4-cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one
PubChem CID90332290
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name3-(4-cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one
SMILESO=C1N(c2ccncc2)CC(C(F)(F)F)N1c1cnccc1C1CC1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)15-10-23(12-3-6-21-7-4-12)16(25)24(15)14-9-22-8-5-13(14)11-1-2-11/h3-9,11,15H,1-2,10H2
InChIKeyXSXXLJGIRHIUPL-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one?
The IUPAC name of 3-(4-cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one (CID 90332290) is 3-(4-cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one.
What is the SMILES notation for 3-(4-cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one?
The canonical SMILES for 3-(4-cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one is O=C1N(c2ccncc2)CC(C(F)(F)F)N1c1cnccc1C1CC1.
What is the InChIKey of 3-(4-cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one?
The InChIKey is XSXXLJGIRHIUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c18-17(19,20)15-10-23(12-3-6-21-7-4-12)16(25)24(15)14-9-22-8-5-13(14)11-1-2-11/h3-9,11,15H,1-2,10H2.
What are the key properties of 3-(4-cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one?
3-(4-cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one has a molecular weight of 348.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-3-pyridinyl)-1-pyridin-4-yl-4-(trifluoromethyl)imidazolidin-2-one is sourced from PubChem (CID 90332290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).