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

C18H14F6N4O — CID 66576897

IUPAC1-[2,6-bis(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
SMILESO=C1N(c2cc(C(F)(F)F)nc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C18H14F6N4O/c19-17(20,21)14-7-11(8-15(26-14)18(22,23)24)27-5-6-28(16(27)29)13-9-25-4-3-12(13)10-1-2-10/h3-4,7-10H,1-2,5-6H2
InChIKeyPXPNIRJIDMOLDC-UHFFFAOYSA-N
MW416.33 g/mol
LogP4.84
Rot. Bonds3

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

1-[2,6-bis(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one (PubChem CID 66576897) has the molecular formula C18H14F6N4O and a molecular weight of 416.33 g/mol. Its IUPAC name is 1-[2,6-bis(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[2,6-bis(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
PubChem CID66576897
Molecular FormulaC18H14F6N4O
Molecular Weight416.33 g/mol
Exact Mass416.11
IUPAC Name1-[2,6-bis(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
SMILESO=C1N(c2cc(C(F)(F)F)nc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C18H14F6N4O/c19-17(20,21)14-7-11(8-15(26-14)18(22,23)24)27-5-6-28(16(27)29)13-9-25-4-3-12(13)10-1-2-10/h3-4,7-10H,1-2,5-6H2
InChIKeyPXPNIRJIDMOLDC-UHFFFAOYSA-N
XLogP4.84
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of 1-[2,6-bis(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one (CID 66576897) is 1-[2,6-bis(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for 1-[2,6-bis(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for 1-[2,6-bis(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one is O=C1N(c2cc(C(F)(F)F)nc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1.
What is the InChIKey of 1-[2,6-bis(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The InChIKey is PXPNIRJIDMOLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N4O/c19-17(20,21)14-7-11(8-15(26-14)18(22,23)24)27-5-6-28(16(27)29)13-9-25-4-3-12(13)10-1-2-10/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 1-[2,6-bis(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
1-[2,6-bis(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one has a molecular weight of 416.33 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(trifluoromethyl)-4-pyridinyl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 66576897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).