1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol;hydrochloride

C15H21ClN2O — CID 3059784

IUPAC1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol;hydrochloride
SMILESCC(C)(C)c1ccc(C(O)Cn2ccnc2)cc1.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-15(2,3)13-6-4-12(5-7-13)14(18)10-17-9-8-16-11-17;/h4-9,11,14,18H,10H2,1-3H3;1H
InChIKeyFSZNRLWRWBSFNS-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.34
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol;hydrochloride

1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol;hydrochloride (PubChem CID 3059784) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol;hydrochloride
PubChem CID3059784
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol;hydrochloride
SMILESCC(C)(C)c1ccc(C(O)Cn2ccnc2)cc1.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-15(2,3)13-6-4-12(5-7-13)14(18)10-17-9-8-16-11-17;/h4-9,11,14,18H,10H2,1-3H3;1H
InChIKeyFSZNRLWRWBSFNS-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol;hydrochloride?
The IUPAC name of 1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol;hydrochloride (CID 3059784) is 1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol;hydrochloride.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol;hydrochloride?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol;hydrochloride is CC(C)(C)c1ccc(C(O)Cn2ccnc2)cc1.Cl.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol;hydrochloride?
The InChIKey is FSZNRLWRWBSFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.ClH/c1-15(2,3)13-6-4-12(5-7-13)14(18)10-17-9-8-16-11-17;/h4-9,11,14,18H,10H2,1-3H3;1H.
What are the key properties of 1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol;hydrochloride?
1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol;hydrochloride is sourced from PubChem (CID 3059784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).