1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol

C17H17N3O — CID 62265055

IUPAC1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol
SMILESNc1ccc(C(O)Cn2ccnc2-c2ccccc2)cc1
InChIInChI=1S/C17H17N3O/c18-15-8-6-13(7-9-15)16(21)12-20-11-10-19-17(20)14-4-2-1-3-5-14/h1-11,16,21H,12,18H2
InChIKeyKTGWIKUVTDMDJE-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.87
Rot. Bonds4

About 1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol

1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol (PubChem CID 62265055) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol
PubChem CID62265055
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol
SMILESNc1ccc(C(O)Cn2ccnc2-c2ccccc2)cc1
InChIInChI=1S/C17H17N3O/c18-15-8-6-13(7-9-15)16(21)12-20-11-10-19-17(20)14-4-2-1-3-5-14/h1-11,16,21H,12,18H2
InChIKeyKTGWIKUVTDMDJE-UHFFFAOYSA-N
XLogP2.87
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol
CID 65277378
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 111440105
3-[2-(4-aminophenyl)imidazol-1-yl]-2-methylpropanamide
CID 54892813
1-(3-methoxyphenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 110907755
1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
CID 109411423
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669
1-(2-phenylimidazol-1-yl)pentan-2-ol
CID 62043887
1-pyridin-3-yl-2-(2-pyridin-4-ylimidazol-1-yl)ethanol
CID 70721156
(1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol
CID 96572239
2-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile
CID 64536556
2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide
CID 61071225

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol (CID 62265055) is 1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol is Nc1ccc(C(O)Cn2ccnc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol?
The InChIKey is KTGWIKUVTDMDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-15-8-6-13(7-9-15)16(21)12-20-11-10-19-17(20)14-4-2-1-3-5-14/h1-11,16,21H,12,18H2.
What are the key properties of 1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol?
1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol has a molecular weight of 279.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol is sourced from PubChem (CID 62265055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).