2-phenyl-1H-imidazole-4,5-dicarbonitrile

C11H6N4 — CID 820939

IUPAC2-phenyl-1H-imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(-c2ccccc2)[nH]c1C#N
InChIInChI=1S/C11H6N4/c12-6-9-10(7-13)15-11(14-9)8-4-2-1-3-5-8/h1-5H,(H,14,15)
InChIKeyPGSHQANDAMACEF-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.82
Rot. Bonds1

About 2-phenyl-1H-imidazole-4,5-dicarbonitrile

2-phenyl-1H-imidazole-4,5-dicarbonitrile (PubChem CID 820939) has the molecular formula C11H6N4 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-phenyl-1H-imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-phenyl-1H-imidazole-4,5-dicarbonitrile
PubChem CID820939
Molecular FormulaC11H6N4
Molecular Weight194.20 g/mol
Exact Mass194.06
IUPAC Name2-phenyl-1H-imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(-c2ccccc2)[nH]c1C#N
InChIInChI=1S/C11H6N4/c12-6-9-10(7-13)15-11(14-9)8-4-2-1-3-5-8/h1-5H,(H,14,15)
InChIKeyPGSHQANDAMACEF-UHFFFAOYSA-N
XLogP1.82
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-phenyl-1H-imidazole-4,5-dicarbonitrile (CID 820939) is 2-phenyl-1H-imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-phenyl-1H-imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-phenyl-1H-imidazole-4,5-dicarbonitrile is N#Cc1nc(-c2ccccc2)[nH]c1C#N.
What is the InChIKey of 2-phenyl-1H-imidazole-4,5-dicarbonitrile?
The InChIKey is PGSHQANDAMACEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4/c12-6-9-10(7-13)15-11(14-9)8-4-2-1-3-5-8/h1-5H,(H,14,15).
What are the key properties of 2-phenyl-1H-imidazole-4,5-dicarbonitrile?
2-phenyl-1H-imidazole-4,5-dicarbonitrile has a molecular weight of 194.20 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 820939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).