3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile

C19H11F3N4 — CID 11256660

IUPAC3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile
SMILESCc1nc(C#Cc2cccc(C#N)c2)cn1-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H11F3N4/c1-13-24-16(9-8-14-4-2-5-15(10-14)11-23)12-26(13)18-7-3-6-17(25-18)19(20,21)22/h2-7,10,12H,1H3
InChIKeyBBZDMYJBWRZXSR-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.87
Rot. Bonds1

About 3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile

3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile (PubChem CID 11256660) has the molecular formula C19H11F3N4 and a molecular weight of 352.32 g/mol. Its IUPAC name is 3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile.

Molecular Properties

Compound Name3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile
PubChem CID11256660
Molecular FormulaC19H11F3N4
Molecular Weight352.32 g/mol
Exact Mass352.09
IUPAC Name3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile
SMILESCc1nc(C#Cc2cccc(C#N)c2)cn1-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H11F3N4/c1-13-24-16(9-8-14-4-2-5-15(10-14)11-23)12-26(13)18-7-3-6-17(25-18)19(20,21)22/h2-7,10,12H,1H3
InChIKeyBBZDMYJBWRZXSR-UHFFFAOYSA-N
XLogP3.87
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile 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

3-[2-[2-methyl-1-(4-methyl-2-pyridinyl)imidazol-4-yl]ethynyl]benzonitrile
CID 11185605
4-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-2-(trifluoromethyl)pyrimidine
CID 11740009
2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86649882
3-[2-(3-cyanophenyl)ethynyl]benzonitrile
CID 12022275
3-[2-(6-ethyl-2-pyridinyl)ethynyl]benzonitrile
CID 70695479
2-[4-[2-(3-chlorophenyl)ethynyl]-2-methylimidazol-1-yl]-5-fluoropyrimidine
CID 11335964
2-chloro-4-[2-methyl-4-[2-(3-methylphenyl)ethynyl]imidazol-1-yl]pyridine
CID 86649881
3-[2-(2-chloro-1,3-thiazol-4-yl)ethynyl]benzonitrile
CID 51039242
3-(2-trimethylsilylethynyl)benzonitrile
CID 22570318
3-[4-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
CID 151912246
2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile
CID 63344174
6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one
CID 163260233

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile?
The IUPAC name of 3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile (CID 11256660) is 3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile.
What is the SMILES notation for 3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile?
The canonical SMILES for 3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile is Cc1nc(C#Cc2cccc(C#N)c2)cn1-c1cccc(C(F)(F)F)n1.
What is the InChIKey of 3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile?
The InChIKey is BBZDMYJBWRZXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4/c1-13-24-16(9-8-14-4-2-5-15(10-14)11-23)12-26(13)18-7-3-6-17(25-18)19(20,21)22/h2-7,10,12H,1H3.
What are the key properties of 3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile?
3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile has a molecular weight of 352.32 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile is sourced from PubChem (CID 11256660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).