(1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone

C11H8F3N3O — CID 105101077

IUPAC(1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCn1ccnc1C(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H8F3N3O/c1-17-5-4-15-10(17)9(18)8-3-2-7(6-16-8)11(12,13)14/h2-6H,1H3
InChIKeyJYEUJGQROWLMSQ-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.06
Rot. Bonds2

About (1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone

(1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 105101077) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID105101077
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name(1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCn1ccnc1C(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H8F3N3O/c1-17-5-4-15-10(17)9(18)8-3-2-7(6-16-8)11(12,13)14/h2-6H,1H3
InChIKeyJYEUJGQROWLMSQ-UHFFFAOYSA-N
XLogP2.06
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 112744196
(1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 5303840
tris(bis(1-methylimidazol-2-yl)methanone);iron(2+);dichloride;hexahydrate
CID 139059297
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
(4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105085929
(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115577232
furan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105099277
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105130663
N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737184
(3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105101646
(1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone
CID 105101057
2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 115580311

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone (CID 105101077) is (1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone is Cn1ccnc1C(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is JYEUJGQROWLMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c1-17-5-4-15-10(17)9(18)8-3-2-7(6-16-8)11(12,13)14/h2-6H,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
(1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 255.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 105101077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).