4-(3-methyl-2H-imidazol-1-yl)butan-1-ol

C8H16N2O — CID 67438813

IUPAC4-(3-methyl-2H-imidazol-1-yl)butan-1-ol
SMILESCN1C=CN(CCCCO)C1
InChIInChI=1S/C8H16N2O/c1-9-5-6-10(8-9)4-2-3-7-11/h5-6,11H,2-4,7-8H2,1H3
InChIKeyYFUMIUAPGDMDMP-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.44
Rot. Bonds4

About 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol

4-(3-methyl-2H-imidazol-1-yl)butan-1-ol (PubChem CID 67438813) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(3-methyl-2H-imidazol-1-yl)butan-1-ol
PubChem CID67438813
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-(3-methyl-2H-imidazol-1-yl)butan-1-ol
SMILESCN1C=CN(CCCCO)C1
InChIInChI=1S/C8H16N2O/c1-9-5-6-10(8-9)4-2-3-7-11/h5-6,11H,2-4,7-8H2,1H3
InChIKeyYFUMIUAPGDMDMP-UHFFFAOYSA-N
XLogP0.44
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Hydroxy 1-butyl-3 methyl imidazole
CID 68259944
2-(3-butyl-2H-imidazol-1-yl)ethanol
CID 52911375
3-(3-methyl-2H-imidazol-1-yl)propan-1-ol
CID 57349221
1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol
CID 58841196
1-(4-ethoxybutyl)-3-methyl-2H-imidazole
CID 67436911
1-(3-methyl-2H-imidazol-1-yl)butan-2-ol
CID 67438474
1-(4-methoxybutyl)-3-methyl-2H-imidazole
CID 67439262
4-(3-methyl-2H-imidazol-1-yl)butan-2-ol
CID 67439857
4-(3-Methyl-1,2-dihydroimidazol-1-ium-1-yl)butan-1-ol chloride
CID 67523406
4-(3-methyl-2H-imidazol-1-yl)butan-1-ol;1-(3-methyl-2H-imidazol-1-yl)propan-2-ol
CID 68280041
3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol
CID 68798763
3-(3-butyl-2H-imidazol-1-yl)propan-1-ol
CID 68798908

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol?
The IUPAC name of 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol (CID 67438813) is 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol.
What is the SMILES notation for 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol?
The canonical SMILES for 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol is CN1C=CN(CCCCO)C1.
What is the InChIKey of 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol?
The InChIKey is YFUMIUAPGDMDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-9-5-6-10(8-9)4-2-3-7-11/h5-6,11H,2-4,7-8H2,1H3.
What are the key properties of 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol?
4-(3-methyl-2H-imidazol-1-yl)butan-1-ol has a molecular weight of 156.23 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol is sourced from PubChem (CID 67438813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).