1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol

C20H23N3O3 — CID 14739905

IUPAC1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol
SMILESOC(CNCCOc1ccc(-n2ccnc2)cc1)COc1ccccc1
InChIInChI=1S/C20H23N3O3/c24-18(15-26-19-4-2-1-3-5-19)14-21-11-13-25-20-8-6-17(7-9-20)23-12-10-22-16-23/h1-10,12,16,18,21,24H,11,13-15H2
InChIKeyXMLOXOFMPHIHFN-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.28
Rot. Bonds10

About 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol

1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol (PubChem CID 14739905) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol
PubChem CID14739905
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol
SMILESOC(CNCCOc1ccc(-n2ccnc2)cc1)COc1ccccc1
InChIInChI=1S/C20H23N3O3/c24-18(15-26-19-4-2-1-3-5-19)14-21-11-13-25-20-8-6-17(7-9-20)23-12-10-22-16-23/h1-10,12,16,18,21,24H,11,13-15H2
InChIKeyXMLOXOFMPHIHFN-UHFFFAOYSA-N
XLogP2.28
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenoxy)-3-(4-imidazol-1-ylphenoxy)propan-2-ol
CID 109414595
methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate
CID 15034338
N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 15174918
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol
CID 111104787
4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile
CID 75432846
1-[2-(2-methylpropoxy)ethylamino]-3-phenoxypropan-2-ol
CID 115585680
N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide
CID 57242122
1-[2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yloxy)ethylamino]-3-phenoxypropan-2-ol
CID 21291609
1-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenyl]pentan-2-one
CID 23169489
(2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol
CID 10685878

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol (CID 14739905) is 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol is OC(CNCCOc1ccc(-n2ccnc2)cc1)COc1ccccc1.
What is the InChIKey of 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol?
The InChIKey is XMLOXOFMPHIHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-18(15-26-19-4-2-1-3-5-19)14-21-11-13-25-20-8-6-17(7-9-20)23-12-10-22-16-23/h1-10,12,16,18,21,24H,11,13-15H2.
What are the key properties of 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol?
1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol has a molecular weight of 353.42 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 14739905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).