2,5-dimethylimidazole-1-carbonitrile

C6H7N3 — CID 13065042

IUPAC2,5-dimethylimidazole-1-carbonitrile
SMILESCc1cnc(C)n1C#N
InChIInChI=1S/C6H7N3/c1-5-3-8-6(2)9(5)4-7/h3H,1-2H3
InChIKeyBOTDNNJLRSAUDP-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.83
Rot. Bonds

About 2,5-dimethylimidazole-1-carbonitrile

2,5-dimethylimidazole-1-carbonitrile (PubChem CID 13065042) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 2,5-dimethylimidazole-1-carbonitrile.

Molecular Properties

Compound Name2,5-dimethylimidazole-1-carbonitrile
PubChem CID13065042
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name2,5-dimethylimidazole-1-carbonitrile
SMILESCc1cnc(C)n1C#N
InChIInChI=1S/C6H7N3/c1-5-3-8-6(2)9(5)4-7/h3H,1-2H3
InChIKeyBOTDNNJLRSAUDP-UHFFFAOYSA-N
XLogP0.83
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-4-methylimidazole
CID 70262
2,4-Dimethylimidazole
CID 70259
1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
2-Methylimidazo[1,2-a]pyrazine
CID 14719920
1H-Imidazole, 5-methyl-2-nitro-1-vinyl-
CID 112814
1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
CID 90327
1,5-Dimethyl-2-nitro-1H-imidazole
CID 78888
Imidazole, 1,4-dimethyl-2-nitro-
CID 79181
4-Methyl-2-propyl-1H-imidazole
CID 12199456
1-Methyl-1H-imidazole-4-carbonitrile
CID 2795115
5-Ethynyl-1-methyl-1H-imidazole
CID 3333106

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylimidazole-1-carbonitrile?
The IUPAC name of 2,5-dimethylimidazole-1-carbonitrile (CID 13065042) is 2,5-dimethylimidazole-1-carbonitrile.
What is the SMILES notation for 2,5-dimethylimidazole-1-carbonitrile?
The canonical SMILES for 2,5-dimethylimidazole-1-carbonitrile is Cc1cnc(C)n1C#N.
What is the InChIKey of 2,5-dimethylimidazole-1-carbonitrile?
The InChIKey is BOTDNNJLRSAUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-5-3-8-6(2)9(5)4-7/h3H,1-2H3.
What are the key properties of 2,5-dimethylimidazole-1-carbonitrile?
2,5-dimethylimidazole-1-carbonitrile has a molecular weight of 121.14 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylimidazole-1-carbonitrile is sourced from PubChem (CID 13065042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).