3-(4,5-dihydroimidazol-1-yl)-3-methylbutan-1-ol;hydrochloride

C8H17ClN2O — CID 174593855

IUPAC3-(4,5-dihydroimidazol-1-yl)-3-methylbutan-1-ol;hydrochloride
SMILESCC(C)(CCO)N1C=NCC1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-8(2,3-6-11)10-5-4-9-7-10;/h7,11H,3-6H2,1-2H3;1H
InChIKeyCSSHHTACRZPGPH-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.91
Rot. Bonds3

About 3-(4,5-dihydroimidazol-1-yl)-3-methylbutan-1-ol;hydrochloride

3-(4,5-dihydroimidazol-1-yl)-3-methylbutan-1-ol;hydrochloride (PubChem CID 174593855) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 3-(4,5-dihydroimidazol-1-yl)-3-methylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(4,5-dihydroimidazol-1-yl)-3-methylbutan-1-ol;hydrochloride
PubChem CID174593855
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name3-(4,5-dihydroimidazol-1-yl)-3-methylbutan-1-ol;hydrochloride
SMILESCC(C)(CCO)N1C=NCC1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-8(2,3-6-11)10-5-4-9-7-10;/h7,11H,3-6H2,1-2H3;1H
InChIKeyCSSHHTACRZPGPH-UHFFFAOYSA-N
XLogP0.91
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydroimidazol-1-yl)-3-methylbutan-1-ol;hydrochloride?
The IUPAC name of 3-(4,5-dihydroimidazol-1-yl)-3-methylbutan-1-ol;hydrochloride (CID 174593855) is 3-(4,5-dihydroimidazol-1-yl)-3-methylbutan-1-ol;hydrochloride.
What is the SMILES notation for 3-(4,5-dihydroimidazol-1-yl)-3-methylbutan-1-ol;hydrochloride?
The canonical SMILES for 3-(4,5-dihydroimidazol-1-yl)-3-methylbutan-1-ol;hydrochloride is CC(C)(CCO)N1C=NCC1.Cl.
What is the InChIKey of 3-(4,5-dihydroimidazol-1-yl)-3-methylbutan-1-ol;hydrochloride?
The InChIKey is CSSHHTACRZPGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-8(2,3-6-11)10-5-4-9-7-10;/h7,11H,3-6H2,1-2H3;1H.
What are the key properties of 3-(4,5-dihydroimidazol-1-yl)-3-methylbutan-1-ol;hydrochloride?
3-(4,5-dihydroimidazol-1-yl)-3-methylbutan-1-ol;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydroimidazol-1-yl)-3-methylbutan-1-ol;hydrochloride is sourced from PubChem (CID 174593855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).