butan-1-ol;1H-imidazole;hydrochloride

C7H15ClN2O — CID 173081881

IUPACbutan-1-ol;1H-imidazole;hydrochloride
SMILESCCCCO.Cl.c1c[nH]cn1
InChIInChI=1S/C4H10O.C3H4N2.ClH/c1-2-3-4-5;1-2-5-3-4-1;/h5H,2-4H2,1H3;1-3H,(H,4,5);1H
InChIKeyMKNQMSUETNSOTH-UHFFFAOYSA-N
MW178.66 g/mol
LogP1.61
Rot. Bonds2

About butan-1-ol;1H-imidazole;hydrochloride

butan-1-ol;1H-imidazole;hydrochloride (PubChem CID 173081881) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is butan-1-ol;1H-imidazole;hydrochloride.

Molecular Properties

Compound Namebutan-1-ol;1H-imidazole;hydrochloride
PubChem CID173081881
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Namebutan-1-ol;1H-imidazole;hydrochloride
SMILESCCCCO.Cl.c1c[nH]cn1
InChIInChI=1S/C4H10O.C3H4N2.ClH/c1-2-3-4-5;1-2-5-3-4-1;/h5H,2-4H2,1H3;1-3H,(H,4,5);1H
InChIKeyMKNQMSUETNSOTH-UHFFFAOYSA-N
XLogP1.61
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;1H-imidazole;hydrochloride?
The IUPAC name of butan-1-ol;1H-imidazole;hydrochloride (CID 173081881) is butan-1-ol;1H-imidazole;hydrochloride.
What is the SMILES notation for butan-1-ol;1H-imidazole;hydrochloride?
The canonical SMILES for butan-1-ol;1H-imidazole;hydrochloride is CCCCO.Cl.c1c[nH]cn1.
What is the InChIKey of butan-1-ol;1H-imidazole;hydrochloride?
The InChIKey is MKNQMSUETNSOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H4N2.ClH/c1-2-3-4-5;1-2-5-3-4-1;/h5H,2-4H2,1H3;1-3H,(H,4,5);1H.
What are the key properties of butan-1-ol;1H-imidazole;hydrochloride?
butan-1-ol;1H-imidazole;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;1H-imidazole;hydrochloride is sourced from PubChem (CID 173081881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).