(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol

C12H15N3O2 — CID 7449350

IUPAC(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol
SMILESNc1ccc(OC[C@H](O)Cn2ccnc2)cc1
InChIInChI=1S/C12H15N3O2/c13-10-1-3-12(4-2-10)17-8-11(16)7-15-6-5-14-9-15/h1-6,9,11,16H,7-8,13H2/t11-/m1/s1
InChIKeyIPNAHQWRBPXANI-LLVKDONJSA-N
MW233.27 g/mol
LogP0.91
Rot. Bonds5

About (2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol

(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol (PubChem CID 7449350) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol
PubChem CID7449350
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol
SMILESNc1ccc(OC[C@H](O)Cn2ccnc2)cc1
InChIInChI=1S/C12H15N3O2/c13-10-1-3-12(4-2-10)17-8-11(16)7-15-6-5-14-9-15/h1-6,9,11,16H,7-8,13H2/t11-/m1/s1
InChIKeyIPNAHQWRBPXANI-LLVKDONJSA-N
XLogP0.91
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol;oxalic acid
CID 46735935
(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 168513831
N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
CID 1095842
(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol
CID 58930396
methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
CID 47130684
1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol
CID 168526584
(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol
CID 1090501
5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde
CID 169333930
3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762
1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 54162166
1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol
CID 62350715

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol (CID 7449350) is (2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol is Nc1ccc(OC[C@H](O)Cn2ccnc2)cc1.
What is the InChIKey of (2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol?
The InChIKey is IPNAHQWRBPXANI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-10-1-3-12(4-2-10)17-8-11(16)7-15-6-5-14-9-15/h1-6,9,11,16H,7-8,13H2/t11-/m1/s1.
What are the key properties of (2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol?
(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol has a molecular weight of 233.27 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 7449350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).