(1-butyl-3-methyl-2H-imidazol-2-yl)methanol

C9H18N2O — CID 174479045

IUPAC(1-butyl-3-methyl-2H-imidazol-2-yl)methanol
SMILESCCCCN1C=CN(C)C1CO
InChIInChI=1S/C9H18N2O/c1-3-4-5-11-7-6-10(2)9(11)8-12/h6-7,9,12H,3-5,8H2,1-2H3
InChIKeyXLFVJMYLLHOPQJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.82
Rot. Bonds4

About (1-butyl-3-methyl-2H-imidazol-2-yl)methanol

(1-butyl-3-methyl-2H-imidazol-2-yl)methanol (PubChem CID 174479045) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (1-butyl-3-methyl-2H-imidazol-2-yl)methanol.

Molecular Properties

Compound Name(1-butyl-3-methyl-2H-imidazol-2-yl)methanol
PubChem CID174479045
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(1-butyl-3-methyl-2H-imidazol-2-yl)methanol
SMILESCCCCN1C=CN(C)C1CO
InChIInChI=1S/C9H18N2O/c1-3-4-5-11-7-6-10(2)9(11)8-12/h6-7,9,12H,3-5,8H2,1-2H3
InChIKeyXLFVJMYLLHOPQJ-UHFFFAOYSA-N
XLogP0.82
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Hydroxyethyl)-3-methylimidazole
CID 57351561
Hydroxy 1-butyl-3 methyl imidazole
CID 68259944
2-(3-butyl-2H-imidazol-1-yl)ethanol
CID 52911375
1-Butyl-3-(2-hydroxyethyl)-2,3-dihydro-1H-imidazol-1-ium chloride
CID 57350019
1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-olate
CID 58841195
1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol
CID 58841196
2-(2,3-dimethyl-2H-imidazol-1-yl)ethanol
CID 66763798
1-butyl-3-(2-methoxyethyl)-2H-imidazole
CID 66835312
1-(3-methyl-2H-imidazol-1-yl)butan-2-ol
CID 67438474
4-(3-methyl-2H-imidazol-1-yl)butan-1-ol
CID 67438813
4-(3-methyl-2H-imidazol-1-yl)butan-2-ol
CID 67439857
1-(3-methyl-2H-imidazol-1-yl)propan-2-ol
CID 67439903

Frequently Asked Questions

What is the IUPAC name of (1-butyl-3-methyl-2H-imidazol-2-yl)methanol?
The IUPAC name of (1-butyl-3-methyl-2H-imidazol-2-yl)methanol (CID 174479045) is (1-butyl-3-methyl-2H-imidazol-2-yl)methanol.
What is the SMILES notation for (1-butyl-3-methyl-2H-imidazol-2-yl)methanol?
The canonical SMILES for (1-butyl-3-methyl-2H-imidazol-2-yl)methanol is CCCCN1C=CN(C)C1CO.
What is the InChIKey of (1-butyl-3-methyl-2H-imidazol-2-yl)methanol?
The InChIKey is XLFVJMYLLHOPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-5-11-7-6-10(2)9(11)8-12/h6-7,9,12H,3-5,8H2,1-2H3.
What are the key properties of (1-butyl-3-methyl-2H-imidazol-2-yl)methanol?
(1-butyl-3-methyl-2H-imidazol-2-yl)methanol has a molecular weight of 170.26 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-3-methyl-2H-imidazol-2-yl)methanol is sourced from PubChem (CID 174479045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).