[3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol

C15H20N2O2S — CID 66150900

IUPAC[3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol
SMILESCc1cccc(OCCCSc2ncc(CO)n2C)c1
InChIInChI=1S/C15H20N2O2S/c1-12-5-3-6-14(9-12)19-7-4-8-20-15-16-10-13(11-18)17(15)2/h3,5-6,9-10,18H,4,7-8,11H2,1-2H3
InChIKeyRCZOUHLYEIPGSM-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.78
Rot. Bonds7

About [3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol

[3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol (PubChem CID 66150900) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is [3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol
PubChem CID66150900
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name[3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol
SMILESCc1cccc(OCCCSc2ncc(CO)n2C)c1
InChIInChI=1S/C15H20N2O2S/c1-12-5-3-6-14(9-12)19-7-4-8-20-15-16-10-13(11-18)17(15)2/h3,5-6,9-10,18H,4,7-8,11H2,1-2H3
InChIKeyRCZOUHLYEIPGSM-UHFFFAOYSA-N
XLogP2.78
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-methylphenoxy)ethylsulfanyl]imidazo[1,5-a]pyridine
CID 47096251
4-[4-methyl-5-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 4788103
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
[1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanol
CID 62401478
3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine
CID 106679289
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
[3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 42795516
3-[2-(3-chlorophenoxy)ethylsulfanyl]-4-methyl-5-(3-methylphenyl)-1,2,4-triazole
CID 16541076
4-methyl-3-[4-(3-methylphenoxy)butylsulfanyl]-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazole
CID 23407193
2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidine
CID 47095301
3-[3-(3-methylphenyl)sulfanylpropoxy]aniline
CID 61243243
[3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol
CID 82891573

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol (CID 66150900) is [3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol is Cc1cccc(OCCCSc2ncc(CO)n2C)c1.
What is the InChIKey of [3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is RCZOUHLYEIPGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12-5-3-6-14(9-12)19-7-4-8-20-15-16-10-13(11-18)17(15)2/h3,5-6,9-10,18H,4,7-8,11H2,1-2H3.
What are the key properties of [3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol?
[3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 292.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 66150900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).