2,3-diethyl-5-methylimidazole-4-carbonitrile

C9H13N3 — CID 82415066

IUPAC2,3-diethyl-5-methylimidazole-4-carbonitrile
SMILESCCc1nc(C)c(C#N)n1CC
InChIInChI=1S/C9H13N3/c1-4-9-11-7(3)8(6-10)12(9)5-2/h4-5H2,1-3H3
InChIKeyAUHVAJXWOVIULM-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.65
Rot. Bonds2

About 2,3-diethyl-5-methylimidazole-4-carbonitrile

2,3-diethyl-5-methylimidazole-4-carbonitrile (PubChem CID 82415066) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,3-diethyl-5-methylimidazole-4-carbonitrile.

Molecular Properties

Compound Name2,3-diethyl-5-methylimidazole-4-carbonitrile
PubChem CID82415066
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2,3-diethyl-5-methylimidazole-4-carbonitrile
SMILESCCc1nc(C)c(C#N)n1CC
InChIInChI=1S/C9H13N3/c1-4-9-11-7(3)8(6-10)12(9)5-2/h4-5H2,1-3H3
InChIKeyAUHVAJXWOVIULM-UHFFFAOYSA-N
XLogP1.65
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,4,5-Tetramethyl-1H-imidazole
CID 74444
1-Methyl-1H-imidazole-4,5-dicarbonitrile
CID 583268
4-amino-1,2-dimethyl-1H-imidazole-5-carbonitrile
CID 12239847
2-Fluoro-1-methylimidazole-4,5-dicarbonitrile
CID 10773133
trimethyl-1H-imidazole-1-carbonitrile
CID 45087624
2-chloro-1,4,5-trimethyl-1H-imidazole
CID 17929113
3-(2,4,5-Trimethyl-1H-imidazol-1-yl)propan-1-amine
CID 18722289
1-Ethyl-1H-imidazole-4,5-dicarbonitrile
CID 15721926
(Z)-N'-(5-cyano-1-methyl-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide
CID 10352234
((1,4,5-Trimethyl-1H-imidazol-2-yl)methyl)amine dihydrochloride
CID 75485560
1-(1,4,5-trimethyl-1H-imidazol-2-yl)ethan-1-amine
CID 82463368
(E)-N'-(5-cyano-1-methyl-1H-imidazol-4-yl)-N,N-dimethylethanimidamide
CID 145913165

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5-methylimidazole-4-carbonitrile?
The IUPAC name of 2,3-diethyl-5-methylimidazole-4-carbonitrile (CID 82415066) is 2,3-diethyl-5-methylimidazole-4-carbonitrile.
What is the SMILES notation for 2,3-diethyl-5-methylimidazole-4-carbonitrile?
The canonical SMILES for 2,3-diethyl-5-methylimidazole-4-carbonitrile is CCc1nc(C)c(C#N)n1CC.
What is the InChIKey of 2,3-diethyl-5-methylimidazole-4-carbonitrile?
The InChIKey is AUHVAJXWOVIULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-9-11-7(3)8(6-10)12(9)5-2/h4-5H2,1-3H3.
What are the key properties of 2,3-diethyl-5-methylimidazole-4-carbonitrile?
2,3-diethyl-5-methylimidazole-4-carbonitrile has a molecular weight of 163.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-5-methylimidazole-4-carbonitrile is sourced from PubChem (CID 82415066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).