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

C18H17F3N4O — CID 90335505

IUPAC1-(4-cyclopropyl-3-pyridinyl)-3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one
SMILESCc1cc(N2CCN(c3cnccc3C3CC3)C2=O)cc(C(F)(F)F)n1
InChIInChI=1S/C18H17F3N4O/c1-11-8-13(9-16(23-11)18(19,20)21)24-6-7-25(17(24)26)15-10-22-5-4-14(15)12-2-3-12/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyROIGAKGGJJMVQT-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.13
Rot. Bonds3

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

1-(4-cyclopropyl-3-pyridinyl)-3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one (PubChem CID 90335505) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-pyridinyl)-3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-pyridinyl)-3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one
PubChem CID90335505
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name1-(4-cyclopropyl-3-pyridinyl)-3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one
SMILESCc1cc(N2CCN(c3cnccc3C3CC3)C2=O)cc(C(F)(F)F)n1
InChIInChI=1S/C18H17F3N4O/c1-11-8-13(9-16(23-11)18(19,20)21)24-6-7-25(17(24)26)15-10-22-5-4-14(15)12-2-3-12/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyROIGAKGGJJMVQT-UHFFFAOYSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.13
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-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-(4-cyclopropyl-3-pyridinyl)-3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one (CID 90335505) is 1-(4-cyclopropyl-3-pyridinyl)-3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-cyclopropyl-3-pyridinyl)-3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-cyclopropyl-3-pyridinyl)-3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one is Cc1cc(N2CCN(c3cnccc3C3CC3)C2=O)cc(C(F)(F)F)n1.
What is the InChIKey of 1-(4-cyclopropyl-3-pyridinyl)-3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one?
The InChIKey is ROIGAKGGJJMVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c1-11-8-13(9-16(23-11)18(19,20)21)24-6-7-25(17(24)26)15-10-22-5-4-14(15)12-2-3-12/h4-5,8-10,12H,2-3,6-7H2,1H3.
What are the key properties of 1-(4-cyclopropyl-3-pyridinyl)-3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one?
1-(4-cyclopropyl-3-pyridinyl)-3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one has a molecular weight of 362.36 g/mol, XLogP of 4.13, 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-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 90335505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).