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

C12H12F3N3O — CID 72845306

IUPAC1-[(3-ethylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCCn1cncc1Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C12H12F3N3O/c1-2-17-8-16-6-9(17)7-18-5-3-4-10(11(18)19)12(13,14)15/h3-6,8H,2,7H2,1H3
InChIKeyVYALRPAXFFOBNP-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.13
Rot. Bonds3

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

1-[(3-ethylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 72845306) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-[(3-ethylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-ethylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID72845306
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-[(3-ethylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCCn1cncc1Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C12H12F3N3O/c1-2-17-8-16-6-9(17)7-18-5-3-4-10(11(18)19)12(13,14)15/h3-6,8H,2,7H2,1H3
InChIKeyVYALRPAXFFOBNP-UHFFFAOYSA-N
XLogP2.13
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one (CID 72845306) is 1-[(3-ethylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(3-ethylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(3-ethylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one is CCn1cncc1Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 1-[(3-ethylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is VYALRPAXFFOBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-2-17-8-16-6-9(17)7-18-5-3-4-10(11(18)19)12(13,14)15/h3-6,8H,2,7H2,1H3.
What are the key properties of 1-[(3-ethylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
1-[(3-ethylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 271.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72845306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).