1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile

C7H10N3+ — CID 154064665

IUPAC1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile
SMILESCC[NH+]1C=C(C)N=C1C#N
InChIInChI=1S/C7H9N3/c1-3-10-5-6(2)9-7(10)4-8/h5H,3H2,1-2H3/p+1
InChIKeyLIQLQIJSJXRLGC-UHFFFAOYSA-O
MW136.18 g/mol
LogP-0.31
Rot. Bonds1

About 1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile

1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile (PubChem CID 154064665) has the molecular formula C7H10N3+ and a molecular weight of 136.18 g/mol. Its IUPAC name is 1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile
PubChem CID154064665
Molecular FormulaC7H10N3+
Molecular Weight136.18 g/mol
Exact Mass136.09
IUPAC Name1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile
SMILESCC[NH+]1C=C(C)N=C1C#N
InChIInChI=1S/C7H9N3/c1-3-10-5-6(2)9-7(10)4-8/h5H,3H2,1-2H3/p+1
InChIKeyLIQLQIJSJXRLGC-UHFFFAOYSA-O
XLogP-0.31
TPSA40.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethyl-4-methyl-1H-imidazol-1-ium-1-yl)propanenitrile
CID 21549849
1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
CID 66764410
2,4-dimethyl-1H-imidazol-1-ium chloride
CID 67915380
1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
CID 87342972
1-methanidyl-2,4-dimethyl-1H-imidazol-1-ium
CID 87342975
1,2,4-trimethyl-1H-imidazol-1-ium
CID 149435307
2,4-dimethyl-1-propyl-1H-imidazol-1-ium
CID 152750235
4-methyl-1-propyl-1H-imidazol-1-ium
CID 154063094
4-methyl-1-propyl-1H-imidazol-1-ium-2-carbonitrile
CID 154064663
1-butyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile
CID 154064664
1-ethyl-2,4-dimethyl-1H-imidazol-1-ium
CID 154083686

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile?
The IUPAC name of 1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile (CID 154064665) is 1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile.
What is the SMILES notation for 1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile?
The canonical SMILES for 1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile is CC[NH+]1C=C(C)N=C1C#N.
What is the InChIKey of 1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile?
The InChIKey is LIQLQIJSJXRLGC-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9N3/c1-3-10-5-6(2)9-7(10)4-8/h5H,3H2,1-2H3/p+1.
What are the key properties of 1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile?
1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile has a molecular weight of 136.18 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-1H-imidazol-1-ium-2-carbonitrile is sourced from PubChem (CID 154064665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).