1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride

C15H21ClN2O — CID 3064166

IUPAC1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride
SMILESCCC(C)c1ccc(C(O)Cn2ccnc2)cc1.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-3-12(2)13-4-6-14(7-5-13)15(18)10-17-9-8-16-11-17;/h4-9,11-12,15,18H,3,10H2,1-2H3;1H
InChIKeyWRXFXMSPVDMHIR-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.55
Rot. Bonds5

About 1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride

1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride (PubChem CID 3064166) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride
PubChem CID3064166
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride
SMILESCCC(C)c1ccc(C(O)Cn2ccnc2)cc1.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-3-12(2)13-4-6-14(7-5-13)15(18)10-17-9-8-16-11-17;/h4-9,11-12,15,18H,3,10H2,1-2H3;1H
InChIKeyWRXFXMSPVDMHIR-UHFFFAOYSA-N
XLogP3.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride (CID 3064166) is 1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride is CCC(C)c1ccc(C(O)Cn2ccnc2)cc1.Cl.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride?
The InChIKey is WRXFXMSPVDMHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.ClH/c1-3-12(2)13-4-6-14(7-5-13)15(18)10-17-9-8-16-11-17;/h4-9,11-12,15,18H,3,10H2,1-2H3;1H.
What are the key properties of 1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride?
1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanol;hydrochloride is sourced from PubChem (CID 3064166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).