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

C11H13N3O — CID 3059769

IUPAC1-(4-aminophenyl)-2-imidazol-1-ylethanol
SMILESNc1ccc(C(O)Cn2ccnc2)cc1
InChIInChI=1S/C11H13N3O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8,11,15H,7,12H2
InChIKeyFJBFZIWISRAEOF-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.20
Rot. Bonds3

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

1-(4-aminophenyl)-2-imidazol-1-ylethanol (PubChem CID 3059769) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-imidazol-1-ylethanol
PubChem CID3059769
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-(4-aminophenyl)-2-imidazol-1-ylethanol
SMILESNc1ccc(C(O)Cn2ccnc2)cc1
InChIInChI=1S/C11H13N3O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8,11,15H,7,12H2
InChIKeyFJBFZIWISRAEOF-UHFFFAOYSA-N
XLogP1.20
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-imidazol-1-ylethanol?
The IUPAC name of 1-(4-aminophenyl)-2-imidazol-1-ylethanol (CID 3059769) is 1-(4-aminophenyl)-2-imidazol-1-ylethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-imidazol-1-ylethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-imidazol-1-ylethanol is Nc1ccc(C(O)Cn2ccnc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-imidazol-1-ylethanol?
The InChIKey is FJBFZIWISRAEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8,11,15H,7,12H2.
What are the key properties of 1-(4-aminophenyl)-2-imidazol-1-ylethanol?
1-(4-aminophenyl)-2-imidazol-1-ylethanol has a molecular weight of 203.25 g/mol, XLogP of 1.20, 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 is sourced from PubChem (CID 3059769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).