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

C17H15F3N4O — CID 66576411

IUPAC1-(4-cyclopropyl-3-pyridinyl)-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one
SMILESO=C1N(c2ccnc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)15-9-12(3-6-22-15)23-7-8-24(16(23)25)14-10-21-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2
InChIKeyBKDZEIPQCCUPML-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.82
Rot. Bonds3

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

1-(4-cyclopropyl-3-pyridinyl)-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one (PubChem CID 66576411) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-pyridinyl)-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-pyridinyl)-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one
PubChem CID66576411
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name1-(4-cyclopropyl-3-pyridinyl)-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one
SMILESO=C1N(c2ccnc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)15-9-12(3-6-22-15)23-7-8-24(16(23)25)14-10-21-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2
InChIKeyBKDZEIPQCCUPML-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-3-pyridinyl)-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-(4-cyclopropyl-3-pyridinyl)-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one (CID 66576411) is 1-(4-cyclopropyl-3-pyridinyl)-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-cyclopropyl-3-pyridinyl)-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-cyclopropyl-3-pyridinyl)-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one is O=C1N(c2ccnc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1.
What is the InChIKey of 1-(4-cyclopropyl-3-pyridinyl)-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one?
The InChIKey is BKDZEIPQCCUPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c18-17(19,20)15-9-12(3-6-22-15)23-7-8-24(16(23)25)14-10-21-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2.
What are the key properties of 1-(4-cyclopropyl-3-pyridinyl)-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one?
1-(4-cyclopropyl-3-pyridinyl)-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one has a molecular weight of 348.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-3-pyridinyl)-3-[2-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 66576411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).