2-ethyl-1H-imidazole;methanol

C6H12N2O — CID 176573862

IUPAC2-ethyl-1H-imidazole;methanol
SMILESCCc1ncc[nH]1.CO
InChIInChI=1S/C5H8N2.CH4O/c1-2-5-6-3-4-7-5;1-2/h3-4H,2H2,1H3,(H,6,7);2H,1H3
InChIKeyCSAYGBBRQRVQAN-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.58
Rot. Bonds1

About 2-ethyl-1H-imidazole;methanol

2-ethyl-1H-imidazole;methanol (PubChem CID 176573862) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-ethyl-1H-imidazole;methanol.

Molecular Properties

Compound Name2-ethyl-1H-imidazole;methanol
PubChem CID176573862
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-ethyl-1H-imidazole;methanol
SMILESCCc1ncc[nH]1.CO
InChIInChI=1S/C5H8N2.CH4O/c1-2-5-6-3-4-7-5;1-2/h3-4H,2H2,1H3,(H,6,7);2H,1H3
InChIKeyCSAYGBBRQRVQAN-UHFFFAOYSA-N
XLogP0.58
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethyl-1H-imidazole
CID 144736598
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
2-ethyl-1H-imidazole;hexafluoroantimony(1-)
CID 175050777
acetic acid;cobalt;bis(2-ethyl-1H-imidazole)
CID 5257802
2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole
CID 158806320
2-ethyl-1H-imidazole;methyl(diphenyl)borane
CID 15753724
2-(1H-imidazol-2-yl)ethanol
CID 15016080
2-butyl-1H-imidazole;hydrochloride
CID 141134528
N-ethyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 14627457
2-octyl-1H-imidazole
CID 18347297
2-propyl-1H-imidazole tetrafluoroborate
CID 174826414

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1H-imidazole;methanol?
The IUPAC name of 2-ethyl-1H-imidazole;methanol (CID 176573862) is 2-ethyl-1H-imidazole;methanol.
What is the SMILES notation for 2-ethyl-1H-imidazole;methanol?
The canonical SMILES for 2-ethyl-1H-imidazole;methanol is CCc1ncc[nH]1.CO.
What is the InChIKey of 2-ethyl-1H-imidazole;methanol?
The InChIKey is CSAYGBBRQRVQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.CH4O/c1-2-5-6-3-4-7-5;1-2/h3-4H,2H2,1H3,(H,6,7);2H,1H3.
What are the key properties of 2-ethyl-1H-imidazole;methanol?
2-ethyl-1H-imidazole;methanol has a molecular weight of 128.17 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-imidazole;methanol is sourced from PubChem (CID 176573862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).