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

C21H25N3O3 — CID 14739907

IUPAC1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C21H25N3O3/c1-17-3-2-4-21(13-17)27-15-19(25)14-22-10-12-26-20-7-5-18(6-8-20)24-11-9-23-16-24/h2-9,11,13,16,19,22,25H,10,12,14-15H2,1H3
InChIKeyYZUUILKYQVFYAE-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.59
Rot. Bonds10

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

1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-(3-methylphenoxy)propan-2-ol (PubChem CID 14739907) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-(3-methylphenoxy)propan-2-ol
PubChem CID14739907
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C21H25N3O3/c1-17-3-2-4-21(13-17)27-15-19(25)14-22-10-12-26-20-7-5-18(6-8-20)24-11-9-23-16-24/h2-9,11,13,16,19,22,25H,10,12,14-15H2,1H3
InChIKeyYZUUILKYQVFYAE-UHFFFAOYSA-N
XLogP2.59
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.59
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

(3S)-1-(1,3-Benzodioxol-5-ylmethyl)-3-[4-(1H-imidazol-1-YL)phenoxy]piperidine
CID 11740318
2-Propanol, 3-(dimethylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069781
Methanesulfonamide, N-(4-(2-hydroxy-3-((2-(4-(1H-imidazol-1-yl)phenoxy)ethyl)amino)propoxy)phenyl)-, monohydrochloride, (+-)-
CID 3079339
Ersentilide
CID 208932
2-Propanol, 1-(6-(1-(1H-benzimidazol-1-yl)vinyl)phenoxy)-3-(tert-butylamino)-
CID 3069764
2-Propanol, 3-(isopropylamino)-1-(6-(1-(4-methyl-1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069765
2-Propanol, 1-((6-(1-(1H-benzimidazol-1-yl)vinyl)-2-methoxy)phenoxy)-3-(tert-butylamino)-
CID 3069771
2-Propanol, 1-(2,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-3-(isopropylamino)-
CID 3069779
2-Propanol, 3-(tert-butylamino)-1-(2,4-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069780
1-(3-(1H-imidazol-1-yl)propyl)-3-(4-(benzyloxy)phenyl)thiourea
CID 6539188
2-(4-(1H-imidazol-1-yl)phenoxy)-N-([1,1'-biphenyl]-4-yl)acetamide
CID 4786512
N-[2-(4-(imidazol-1-yl)phenoxy)ethyl]-N-[(1,3-benzodioxol-5-yl)methyl]amine
CID 10019960

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-(3-methylphenoxy)propan-2-ol (CID 14739907) is 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)c1.
What is the InChIKey of 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is YZUUILKYQVFYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-17-3-2-4-21(13-17)27-15-19(25)14-22-10-12-26-20-7-5-18(6-8-20)24-11-9-23-16-24/h2-9,11,13,16,19,22,25H,10,12,14-15H2,1H3.
What are the key properties of 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-(3-methylphenoxy)propan-2-ol?
1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 367.45 g/mol, XLogP of 2.59, 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-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 14739907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).