1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol

C12H15N3O — CID 65277378

IUPAC1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol
SMILESCC(O)Cn1ccnc1-c1ccc(N)cc1
InChIInChI=1S/C12H15N3O/c1-9(16)8-15-7-6-14-12(15)10-2-4-11(13)5-3-10/h2-7,9,16H,8,13H2,1H3
InChIKeyXAWZASYMLYTTJU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.51
Rot. Bonds3

About 1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol

1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol (PubChem CID 65277378) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol
PubChem CID65277378
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol
SMILESCC(O)Cn1ccnc1-c1ccc(N)cc1
InChIInChI=1S/C12H15N3O/c1-9(16)8-15-7-6-14-12(15)10-2-4-11(13)5-3-10/h2-7,9,16H,8,13H2,1H3
InChIKeyXAWZASYMLYTTJU-UHFFFAOYSA-N
XLogP1.51
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.51
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-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol?
The IUPAC name of 1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol (CID 65277378) is 1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol is CC(O)Cn1ccnc1-c1ccc(N)cc1.
What is the InChIKey of 1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol?
The InChIKey is XAWZASYMLYTTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(16)8-15-7-6-14-12(15)10-2-4-11(13)5-3-10/h2-7,9,16H,8,13H2,1H3.
What are the key properties of 1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol?
1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol has a molecular weight of 217.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 65277378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).