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

C20H19F3N4O — CID 66576896

IUPAC1-(4-cyclopropyl-3-pyridinyl)-3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one
SMILESO=C1N(c2cc(C3CC3)nc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)18-10-14(9-16(25-18)13-3-4-13)26-7-8-27(19(26)28)17-11-24-6-5-15(17)12-1-2-12/h5-6,9-13H,1-4,7-8H2
InChIKeyQZKKDUOKOCMLKP-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.70
Rot. Bonds4

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

1-(4-cyclopropyl-3-pyridinyl)-3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one (PubChem CID 66576896) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-pyridinyl)-3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-pyridinyl)-3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one
PubChem CID66576896
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name1-(4-cyclopropyl-3-pyridinyl)-3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one
SMILESO=C1N(c2cc(C3CC3)nc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)18-10-14(9-16(25-18)13-3-4-13)26-7-8-27(19(26)28)17-11-24-6-5-15(17)12-1-2-12/h5-6,9-13H,1-4,7-8H2
InChIKeyQZKKDUOKOCMLKP-UHFFFAOYSA-N
XLogP4.70
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.70
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-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-(4-cyclopropyl-3-pyridinyl)-3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one (CID 66576896) is 1-(4-cyclopropyl-3-pyridinyl)-3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-cyclopropyl-3-pyridinyl)-3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-cyclopropyl-3-pyridinyl)-3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one is O=C1N(c2cc(C3CC3)nc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1.
What is the InChIKey of 1-(4-cyclopropyl-3-pyridinyl)-3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one?
The InChIKey is QZKKDUOKOCMLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c21-20(22,23)18-10-14(9-16(25-18)13-3-4-13)26-7-8-27(19(26)28)17-11-24-6-5-15(17)12-1-2-12/h5-6,9-13H,1-4,7-8H2.
What are the key properties of 1-(4-cyclopropyl-3-pyridinyl)-3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one?
1-(4-cyclopropyl-3-pyridinyl)-3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one has a molecular weight of 388.39 g/mol, XLogP of 4.70, 4 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-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 66576896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).