1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one

C13H14F3N3O2 — CID 72878194

IUPAC1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCOCCn1cncc1Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C13H14F3N3O2/c1-21-6-5-19-9-17-7-10(19)8-18-4-2-3-11(12(18)20)13(14,15)16/h2-4,7,9H,5-6,8H2,1H3
InChIKeyKOPQSQUOBNBLGR-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.76
Rot. Bonds5

About 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one

1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 72878194) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID72878194
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCOCCn1cncc1Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C13H14F3N3O2/c1-21-6-5-19-9-17-7-10(19)8-18-4-2-3-11(12(18)20)13(14,15)16/h2-4,7,9H,5-6,8H2,1H3
InChIKeyKOPQSQUOBNBLGR-UHFFFAOYSA-N
XLogP1.76
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one (CID 72878194) is 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one is COCCn1cncc1Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is KOPQSQUOBNBLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-21-6-5-19-9-17-7-10(19)8-18-4-2-3-11(12(18)20)13(14,15)16/h2-4,7,9H,5-6,8H2,1H3.
What are the key properties of 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one?
1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 301.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72878194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).