4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile

C18H11FN4 — CID 24963367

IUPAC4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile
SMILESCc1nc(C#Cc2ccnc(C#N)c2)cn1-c1ccc(F)cc1
InChIInChI=1S/C18H11FN4/c1-13-22-16(5-2-14-8-9-21-17(10-14)11-20)12-23(13)18-6-3-15(19)4-7-18/h3-4,6-10,12H,1H3
InChIKeyBUFRBQOWKOARSF-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.99
Rot. Bonds1

About 4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile

4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile (PubChem CID 24963367) has the molecular formula C18H11FN4 and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile
PubChem CID24963367
Molecular FormulaC18H11FN4
Molecular Weight302.31 g/mol
Exact Mass302.10
IUPAC Name4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile
SMILESCc1nc(C#Cc2ccnc(C#N)c2)cn1-c1ccc(F)cc1
InChIInChI=1S/C18H11FN4/c1-13-22-16(5-2-14-8-9-21-17(10-14)11-20)12-23(13)18-6-3-15(19)4-7-18/h3-4,6-10,12H,1H3
InChIKeyBUFRBQOWKOARSF-UHFFFAOYSA-N
XLogP2.99
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86595317
4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
CID 10017970
2-chloro-4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86595315
3-[2-[2-methyl-1-(4-methyl-2-pyridinyl)imidazol-4-yl]ethynyl]benzonitrile
CID 11185605
4-chloro-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine
CID 10244859
2-chloro-4-[2-methyl-4-[2-(3-methylphenyl)ethynyl]imidazol-1-yl]pyridine
CID 86649881
4-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-2-(trifluoromethyl)pyrimidine
CID 11740009
5-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-2-methylpyridazin-3-one
CID 58111197
2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine
CID 10450985
4-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-2-methylpyridine
CID 11148529
2-[4-[2-(3-chlorophenyl)ethynyl]-2-methylimidazol-1-yl]-5-fluoropyrimidine
CID 11335964
2-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]pyrazine
CID 11770899

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile (CID 24963367) is 4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile is Cc1nc(C#Cc2ccnc(C#N)c2)cn1-c1ccc(F)cc1.
What is the InChIKey of 4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile?
The InChIKey is BUFRBQOWKOARSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4/c1-13-22-16(5-2-14-8-9-21-17(10-14)11-20)12-23(13)18-6-3-15(19)4-7-18/h3-4,6-10,12H,1H3.
What are the key properties of 4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile?
4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile has a molecular weight of 302.31 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile is sourced from PubChem (CID 24963367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).