[2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-methylimidazol-4-yl]methanol

C14H18N2O3S — CID 2763905

IUPAC[2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCOc1ccc(OCCSc2ncc(CO)n2C)cc1
InChIInChI=1S/C14H18N2O3S/c1-16-11(10-17)9-15-14(16)20-8-7-19-13-5-3-12(18-2)4-6-13/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyUIFLHTFWCKPCAN-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.09
Rot. Bonds7

About [2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-methylimidazol-4-yl]methanol

[2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-methylimidazol-4-yl]methanol (PubChem CID 2763905) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-methylimidazol-4-yl]methanol
PubChem CID2763905
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name[2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCOc1ccc(OCCSc2ncc(CO)n2C)cc1
InChIInChI=1S/C14H18N2O3S/c1-16-11(10-17)9-15-14(16)20-8-7-19-13-5-3-12(18-2)4-6-13/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyUIFLHTFWCKPCAN-UHFFFAOYSA-N
XLogP2.09
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-2-(4-phenoxybutylsulfanyl)imidazole;hydrobromide
CID 12381185
5-[(4-Fluorophenoxy)methyl]-1-methylimidazole
CID 66140387
1-(2-Ethyl-4-methylimidazol-1-yl)-3-phenoxypropan-2-ol
CID 22603883
1-[3-Ethyl-2-(4-fluorophenoxy)imidazol-4-yl]propan-1-ol
CID 57782067
[2-Fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid
CID 58343938
2-[[4-[(3-Fluoro-5-hydroxyphenoxy)methyl]-2-methylimidazol-1-yl]methoxy]ethyl thiohypoiodite
CID 145674866
{1-[(4-Methoxyphenyl)methyl]-2-(methylsulfanyl)-1H-imidazol-5-YL}methanol
CID 11021764
[1-methyl-2-({2-[3-(trifluoromethyl)phenoxy]ethyl}sulfanyl)-1H-imidazol-5-yl]methanol
CID 2775653
[2-[(4-Fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol
CID 7115216
[2-[(3-Fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol
CID 7115218
[2-[(2-Fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol
CID 7115243
1-Methyl-2-(4-phenoxybutylsulfanyl)imidazole
CID 12381184

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-methylimidazol-4-yl]methanol (CID 2763905) is [2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-methylimidazol-4-yl]methanol is COc1ccc(OCCSc2ncc(CO)n2C)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is UIFLHTFWCKPCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-16-11(10-17)9-15-14(16)20-8-7-19-13-5-3-12(18-2)4-6-13/h3-6,9,17H,7-8,10H2,1-2H3.
What are the key properties of [2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-methylimidazol-4-yl]methanol?
[2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 294.38 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 2763905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).