ethane;2-methyl-2H-imidazole

C6H12N2 — CID 91391426

IUPACethane;2-methyl-2H-imidazole
SMILESCC.CC1N=CC=N1
InChIInChI=1S/C4H6N2.C2H6/c1-4-5-2-3-6-4;1-2/h2-4H,1H3;1-2H3
InChIKeyOPTAAFFBJHILOT-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.51
Rot. Bonds

About ethane;2-methyl-2H-imidazole

ethane;2-methyl-2H-imidazole (PubChem CID 91391426) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is ethane;2-methyl-2H-imidazole.

Molecular Properties

Compound Nameethane;2-methyl-2H-imidazole
PubChem CID91391426
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Nameethane;2-methyl-2H-imidazole
SMILESCC.CC1N=CC=N1
InChIInChI=1S/C4H6N2.C2H6/c1-4-5-2-3-6-4;1-2/h2-4H,1H3;1-2H3
InChIKeyOPTAAFFBJHILOT-UHFFFAOYSA-N
XLogP1.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;2-methyl-2H-imidazole 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

Ethanamine, N-ethylidene
CID 136926
N,N'-dimethylethane-1,2-diimine
CID 419476
2H-imidazole
CID 5288099
2-methyl-2H-imidazole
CID 15300567
Dimethyl 2h imidazole
CID 22173766
2-Ethyl-2-methylimidazole
CID 22245395
N-methyl-3-imidazoline
CID 53970254
2-Butylimidazol-2-ylium
CID 57047188
2-Methylimidazol-1-ium
CID 57080152
2-Ethylimidazol-2-ylium
CID 57090344
2-Propylimidazol-2-ylium
CID 57192206
1,2,3-trimethyl-2H-imidazole-1,3-diium
CID 44272655

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2H-imidazole?
The IUPAC name of ethane;2-methyl-2H-imidazole (CID 91391426) is ethane;2-methyl-2H-imidazole.
What is the SMILES notation for ethane;2-methyl-2H-imidazole?
The canonical SMILES for ethane;2-methyl-2H-imidazole is CC.CC1N=CC=N1.
What is the InChIKey of ethane;2-methyl-2H-imidazole?
The InChIKey is OPTAAFFBJHILOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C2H6/c1-4-5-2-3-6-4;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-2H-imidazole?
ethane;2-methyl-2H-imidazole has a molecular weight of 112.18 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-2H-imidazole is sourced from PubChem (CID 91391426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).