[1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol

C12H15N3O — CID 171801080

IUPAC[1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol
SMILESCC(c1ccc(N)cc1)n1ccnc1CO
InChIInChI=1S/C12H15N3O/c1-9(10-2-4-11(13)5-3-10)15-7-6-14-12(15)8-16/h2-7,9,16H,8,13H2,1H3
InChIKeyAMLJQOVCOQUXTF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.57
Rot. Bonds3

About [1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol

[1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol (PubChem CID 171801080) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol
PubChem CID171801080
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol
SMILESCC(c1ccc(N)cc1)n1ccnc1CO
InChIInChI=1S/C12H15N3O/c1-9(10-2-4-11(13)5-3-10)15-7-6-14-12(15)8-16/h2-7,9,16H,8,13H2,1H3
InChIKeyAMLJQOVCOQUXTF-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
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-butan-2-ylimidazol-2-yl)methanol
CID 45088406
1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole
CID 171801244
[1-(4-aminophenyl)imidazol-2-yl]methanol
CID 59577798
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106695562
[1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol
CID 69208976
4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
CID 63013171
ethyl 2-(4-aminophenyl)-2-(2-methylimidazol-1-yl)acetate
CID 171801216
methyl 2-(4-aminophenyl)-2-(2-methylimidazol-1-yl)acetate
CID 171801445
2-methyl-1-[(1R)-1-phenylethyl]imidazole
CID 76960079
2-[1-(1-phenylethyl)imidazol-2-yl]sulfanylethanamine
CID 19861385
(2S)-3-methyl-2-[(1-propan-2-ylimidazol-2-yl)methylamino]butan-1-ol
CID 75501743
4-(4-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]but-3-yn-1-ol
CID 177227250

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol?
The IUPAC name of [1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol (CID 171801080) is [1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol.
What is the SMILES notation for [1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol?
The canonical SMILES for [1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol is CC(c1ccc(N)cc1)n1ccnc1CO.
What is the InChIKey of [1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol?
The InChIKey is AMLJQOVCOQUXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(10-2-4-11(13)5-3-10)15-7-6-14-12(15)8-16/h2-7,9,16H,8,13H2,1H3.
What are the key properties of [1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol?
[1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol is sourced from PubChem (CID 171801080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).