2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile

C7H7N5 — CID 19016773

IUPAC2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile
SMILESCN(C)c1nc(C#N)c(C#N)[nH]1
InChIInChI=1S/C7H7N5/c1-12(2)7-10-5(3-8)6(4-9)11-7/h1-2H3,(H,10,11)
InChIKeyIKOXXDLZIRTYRK-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.22
Rot. Bonds1

About 2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile

2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile (PubChem CID 19016773) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile
PubChem CID19016773
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile
SMILESCN(C)c1nc(C#N)c(C#N)[nH]1
InChIInChI=1S/C7H7N5/c1-12(2)7-10-5(3-8)6(4-9)11-7/h1-2H3,(H,10,11)
InChIKeyIKOXXDLZIRTYRK-UHFFFAOYSA-N
XLogP0.22
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1H-imidazole-4,5-dicarbonitrile
CID 5260593
4,5-Dicyanoimidazole
CID 70729
5-amino-1H-imidazole-4-carbonitrile
CID 78777
1H-Imidazole-4,5-dicarbonitrile, 2-amino-
CID 170446
1-Methyl-1H-imidazole-4,5-dicarbonitrile
CID 583268
2-methyl-1H-imidazole-4,5-dicarbonitrile
CID 3847698
2-bromo-1H-imidazole-4,5-dicarbonitrile
CID 2779148
4,5-Dicyano-2-fluoroimidazole
CID 10773025
2-Fluoro-1-methylimidazole-4,5-dicarbonitrile
CID 10773133
5-amino-1H-imidazole-2,4-dicarbonitrile
CID 385943
5-cyano-1H-imidazole-4-diazonium
CID 4684630
4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonitrile
CID 135545703

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile (CID 19016773) is 2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile is CN(C)c1nc(C#N)c(C#N)[nH]1.
What is the InChIKey of 2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile?
The InChIKey is IKOXXDLZIRTYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c1-12(2)7-10-5(3-8)6(4-9)11-7/h1-2H3,(H,10,11).
What are the key properties of 2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile?
2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile has a molecular weight of 161.17 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 19016773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).