1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride

C11H14ClN3O — CID 3059768

IUPAC1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride
SMILESCl.Nc1ccc(C(O)Cn2ccnc2)cc1
InChIInChI=1S/C11H13N3O.ClH/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14;/h1-6,8,11,15H,7,12H2;1H
InChIKeyPWRKSDNYQUWJQV-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.62
Rot. Bonds3

About 1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride

1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride (PubChem CID 3059768) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride
PubChem CID3059768
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride
SMILESCl.Nc1ccc(C(O)Cn2ccnc2)cc1
InChIInChI=1S/C11H13N3O.ClH/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14;/h1-6,8,11,15H,7,12H2;1H
InChIKeyPWRKSDNYQUWJQV-UHFFFAOYSA-N
XLogP1.62
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride?
The IUPAC name of 1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride (CID 3059768) is 1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride.
What is the SMILES notation for 1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride?
The canonical SMILES for 1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride is Cl.Nc1ccc(C(O)Cn2ccnc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride?
The InChIKey is PWRKSDNYQUWJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.ClH/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14;/h1-6,8,11,15H,7,12H2;1H.
What are the key properties of 1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride?
1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-imidazol-1-ylethanol;hydrochloride is sourced from PubChem (CID 3059768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).