1-propan-2-ylimidazole-4,5-dicarbonitrile

C8H8N4 — CID 15721929

IUPAC1-propan-2-ylimidazole-4,5-dicarbonitrile
SMILESCC(C)n1cnc(C#N)c1C#N
InChIInChI=1S/C8H8N4/c1-6(2)12-5-11-7(3-9)8(12)4-10/h5-6H,1-2H3
InChIKeyAMXZFFJOWGQWMK-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.21
Rot. Bonds1

About 1-propan-2-ylimidazole-4,5-dicarbonitrile

1-propan-2-ylimidazole-4,5-dicarbonitrile (PubChem CID 15721929) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-propan-2-ylimidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-propan-2-ylimidazole-4,5-dicarbonitrile
PubChem CID15721929
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name1-propan-2-ylimidazole-4,5-dicarbonitrile
SMILESCC(C)n1cnc(C#N)c1C#N
InChIInChI=1S/C8H8N4/c1-6(2)12-5-11-7(3-9)8(12)4-10/h5-6H,1-2H3
InChIKeyAMXZFFJOWGQWMK-UHFFFAOYSA-N
XLogP1.21
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-methyl-1H-imidazole-4-carbonitrile
CID 11051635
1-Methyl-1H-imidazole-4,5-dicarbonitrile
CID 583268
4-amino-1-methyl-1H-imidazole-5-carbonitrile
CID 407624
2-Fluoro-1-methylimidazole-4,5-dicarbonitrile
CID 10773133
N-(5-cyano-1-methyl-1H-imidazol-4-yl)-N-methylcyanamide
CID 146682601
1,4,5-Trimethyl-1H-imidazole
CID 573598
1-Ethyl-1H-imidazole-4,5-dicarbonitrile
CID 15721926
(Z)-N'-(5-cyano-1-methyl-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide
CID 10352234
(E)-N'-(5-cyano-1-methyl-1H-imidazol-4-yl)-N,N-dimethylethanimidamide
CID 145913165
2-Fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium
CID 155932247
1-Methyl-5-(trifluoromethyl)imidazole-4-carbonitrile
CID 164686208
N'-(4-cyano-1-methyl-1H-imidazol-5-yl)-N,N-dimethylcarbamimidic chloride
CID 9574136

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylimidazole-4,5-dicarbonitrile?
The IUPAC name of 1-propan-2-ylimidazole-4,5-dicarbonitrile (CID 15721929) is 1-propan-2-ylimidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-propan-2-ylimidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-propan-2-ylimidazole-4,5-dicarbonitrile is CC(C)n1cnc(C#N)c1C#N.
What is the InChIKey of 1-propan-2-ylimidazole-4,5-dicarbonitrile?
The InChIKey is AMXZFFJOWGQWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-6(2)12-5-11-7(3-9)8(12)4-10/h5-6H,1-2H3.
What are the key properties of 1-propan-2-ylimidazole-4,5-dicarbonitrile?
1-propan-2-ylimidazole-4,5-dicarbonitrile has a molecular weight of 160.18 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylimidazole-4,5-dicarbonitrile is sourced from PubChem (CID 15721929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).