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

C18H16F3N3O — CID 66576485

IUPAC1-(4-cyclopropyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(c2cccc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C18H16F3N3O/c19-18(20,21)13-2-1-3-14(10-13)23-8-9-24(17(23)25)16-11-22-7-6-15(16)12-4-5-12/h1-3,6-7,10-12H,4-5,8-9H2
InChIKeyCUTNGEIQLOZHNS-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.42
Rot. Bonds3

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

1-(4-cyclopropyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 66576485) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID66576485
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name1-(4-cyclopropyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(c2cccc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C18H16F3N3O/c19-18(20,21)13-2-1-3-14(10-13)23-8-9-24(17(23)25)16-11-22-7-6-15(16)12-4-5-12/h1-3,6-7,10-12H,4-5,8-9H2
InChIKeyCUTNGEIQLOZHNS-UHFFFAOYSA-N
XLogP4.42
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-(4-cyclopropyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 66576485) is 1-(4-cyclopropyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-cyclopropyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-cyclopropyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is O=C1N(c2cccc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1.
What is the InChIKey of 1-(4-cyclopropyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is CUTNGEIQLOZHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c19-18(20,21)13-2-1-3-14(10-13)23-8-9-24(17(23)25)16-11-22-7-6-15(16)12-4-5-12/h1-3,6-7,10-12H,4-5,8-9H2.
What are the key properties of 1-(4-cyclopropyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-(4-cyclopropyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 347.34 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 66576485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).