1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate

C6H14N2O2 — CID 175390691

IUPAC1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate
SMILESCC(O)N1C=CN(C)C1.O
InChIInChI=1S/C6H12N2O.H2O/c1-6(9)8-4-3-7(2)5-8;/h3-4,6,9H,5H2,1-2H3;1H2
InChIKeyQZHFWAYEVPONCE-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.82
Rot. Bonds1

About 1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate

1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate (PubChem CID 175390691) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate.

Molecular Properties

Compound Name1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate
PubChem CID175390691
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate
SMILESCC(O)N1C=CN(C)C1.O
InChIInChI=1S/C6H12N2O.H2O/c1-6(9)8-4-3-7(2)5-8;/h3-4,6,9H,5H2,1-2H3;1H2
InChIKeyQZHFWAYEVPONCE-UHFFFAOYSA-N
XLogP-0.82
TPSA58.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide
CID 171376624
bis[1-(3-methyl-2H-imidazol-1-yl)ethyl] 2,3-dihydroxybutanedioate
CID 174589905
1-[3-(2-bromoethyl)-2H-imidazol-1-yl]ethanol
CID 175822387
1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride
CID 175693926
1-methyl-3-(1,2,2-trifluoroethyl)-2H-imidazole
CID 175549515
methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate
CID 123407176
1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole
CID 175095291
sulfo 2-(3-methyl-2H-imidazol-1-yl)propanoate
CID 174907943
1-[1,20-diiodo-20-(3-methyl-2H-imidazol-1-yl)icosyl]-3-methyl-2H-imidazole
CID 67442015
1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole
CID 174572332
dimethyl carbonate;1,3-dimethyl-2H-imidazole
CID 175750899
1-methyl-3-octadecan-8-yl-2H-imidazole
CID 174675256

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate?
The IUPAC name of 1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate (CID 175390691) is 1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate.
What is the SMILES notation for 1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate?
The canonical SMILES for 1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate is CC(O)N1C=CN(C)C1.O.
What is the InChIKey of 1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate?
The InChIKey is QZHFWAYEVPONCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.H2O/c1-6(9)8-4-3-7(2)5-8;/h3-4,6,9H,5H2,1-2H3;1H2.
What are the key properties of 1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate?
1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate has a molecular weight of 146.19 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate is sourced from PubChem (CID 175390691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).