ethane;1-hydroxy-2-methylimidazole

C6H12N2O — CID 143552459

IUPACethane;1-hydroxy-2-methylimidazole
SMILESCC.Cc1nccn1O
InChIInChI=1S/C4H6N2O.C2H6/c1-4-5-2-3-6(4)7;1-2/h2-3,7H,1H3;1-2H3
InChIKeyJGVOPSHZGLTFAM-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.46
Rot. Bonds

About ethane;1-hydroxy-2-methylimidazole

ethane;1-hydroxy-2-methylimidazole (PubChem CID 143552459) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is ethane;1-hydroxy-2-methylimidazole.

Molecular Properties

Compound Nameethane;1-hydroxy-2-methylimidazole
PubChem CID143552459
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Nameethane;1-hydroxy-2-methylimidazole
SMILESCC.Cc1nccn1O
InChIInChI=1S/C4H6N2O.C2H6/c1-4-5-2-3-6(4)7;1-2/h2-3,7H,1H3;1-2H3
InChIKeyJGVOPSHZGLTFAM-UHFFFAOYSA-N
XLogP1.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-methylimidazole
CID 102183392
1-hydroxy-2-iodoimidazole
CID 83382803
tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium
CID 173068105
1,2-dimethylimidazole;urea
CID 174990589
2-hydroxy-1-(2-methylimidazol-1-yl)ethanone
CID 67684547
alumane;1-ethyl-2-methylimidazole;dihydrochloride
CID 173131459
(2-methylimidazol-1-yl) thiohypochlorite
CID 138660924
1,2-dimethylimidazole;trifluoroborane
CID 171040969
2-methyl-1-(2-methylimidazol-1-yl)propan-2-ol
CID 19434665
2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one
CID 19895249
cobalt;(2-methylimidazol-1-yl) acetate
CID 174874912
CID 88627468
CID 88627468

Frequently Asked Questions

What is the IUPAC name of ethane;1-hydroxy-2-methylimidazole?
The IUPAC name of ethane;1-hydroxy-2-methylimidazole (CID 143552459) is ethane;1-hydroxy-2-methylimidazole.
What is the SMILES notation for ethane;1-hydroxy-2-methylimidazole?
The canonical SMILES for ethane;1-hydroxy-2-methylimidazole is CC.Cc1nccn1O.
What is the InChIKey of ethane;1-hydroxy-2-methylimidazole?
The InChIKey is JGVOPSHZGLTFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.C2H6/c1-4-5-2-3-6(4)7;1-2/h2-3,7H,1H3;1-2H3.
What are the key properties of ethane;1-hydroxy-2-methylimidazole?
ethane;1-hydroxy-2-methylimidazole has a molecular weight of 128.17 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-hydroxy-2-methylimidazole is sourced from PubChem (CID 143552459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).