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

C8H17ClN2O — CID 173078363

IUPAC4-(3-methyl-2H-imidazol-1-yl)butan-1-ol;hydrochloride
SMILESCN1C=CN(CCCCO)C1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-9-5-6-10(8-9)4-2-3-7-11;/h5-6,11H,2-4,7-8H2,1H3;1H
InChIKeyUHASONBLNDAGFB-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.86
Rot. Bonds4

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

4-(3-methyl-2H-imidazol-1-yl)butan-1-ol;hydrochloride (PubChem CID 173078363) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-(3-methyl-2H-imidazol-1-yl)butan-1-ol;hydrochloride
PubChem CID173078363
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name4-(3-methyl-2H-imidazol-1-yl)butan-1-ol;hydrochloride
SMILESCN1C=CN(CCCCO)C1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-9-5-6-10(8-9)4-2-3-7-11;/h5-6,11H,2-4,7-8H2,1H3;1H
InChIKeyUHASONBLNDAGFB-UHFFFAOYSA-N
XLogP0.86
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.86
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol;hydrochloride?
The IUPAC name of 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol;hydrochloride (CID 173078363) is 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol;hydrochloride.
What is the SMILES notation for 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol;hydrochloride?
The canonical SMILES for 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol;hydrochloride is CN1C=CN(CCCCO)C1.Cl.
What is the InChIKey of 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol;hydrochloride?
The InChIKey is UHASONBLNDAGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-9-5-6-10(8-9)4-2-3-7-11;/h5-6,11H,2-4,7-8H2,1H3;1H.
What are the key properties of 4-(3-methyl-2H-imidazol-1-yl)butan-1-ol;hydrochloride?
4-(3-methyl-2H-imidazol-1-yl)butan-1-ol;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.86, 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;hydrochloride is sourced from PubChem (CID 173078363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).