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

C19H14N4 — CID 10063269

IUPAC4-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]benzonitrile
SMILESCc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1
InChIInChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3
InChIKeyOILWBSOAXIAPNC-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.16
Rot. Bonds1

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

4-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]benzonitrile (PubChem CID 10063269) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]benzonitrile
PubChem CID10063269
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name4-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]benzonitrile
SMILESCc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1
InChIInChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3
InChIKeyOILWBSOAXIAPNC-UHFFFAOYSA-N
XLogP3.16
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]benzonitrile?
The IUPAC name of 4-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]benzonitrile (CID 10063269) is 4-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]benzonitrile.
What is the SMILES notation for 4-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]benzonitrile?
The canonical SMILES for 4-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]benzonitrile is Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1.
What is the InChIKey of 4-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]benzonitrile?
The InChIKey is OILWBSOAXIAPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3.
What are the key properties of 4-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]benzonitrile?
4-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]benzonitrile has a molecular weight of 298.35 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]benzonitrile is sourced from PubChem (CID 10063269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).