[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol

C15H18N2O2S — CID 66149405

IUPAC[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H18N2O2S/c1-17-13(10-18)9-16-15(17)20-7-5-11-2-3-14-12(8-11)4-6-19-14/h2-3,8-9,18H,4-7,10H2,1H3
InChIKeyJSOPYCSLKRGQGH-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.18
Rot. Bonds5

About [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol

[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol (PubChem CID 66149405) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol
PubChem CID66149405
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H18N2O2S/c1-17-13(10-18)9-16-15(17)20-7-5-11-2-3-14-12(8-11)4-6-19-14/h2-3,8-9,18H,4-7,10H2,1H3
InChIKeyJSOPYCSLKRGQGH-UHFFFAOYSA-N
XLogP2.18
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol
CID 66348162
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol
CID 65445169
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-(hydroxymethyl)pyridin-2-one
CID 167822879
[3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol
CID 82891573
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodo-4-methylpyrazole
CID 79787089
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrazol-3-yl]methanamine
CID 65447276
(3-methyl-2-pentylsulfanylimidazol-4-yl)methanol
CID 66152109
4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine
CID 122142418
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5,6-dimethylpyrimidin-4-one
CID 146130232
5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one
CID 66311095
[2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66362374

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol (CID 66149405) is [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol is Cn1c(CO)cnc1SCCc1ccc2c(c1)CCO2.
What is the InChIKey of [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is JSOPYCSLKRGQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-17-13(10-18)9-16-15(17)20-7-5-11-2-3-14-12(8-11)4-6-19-14/h2-3,8-9,18H,4-7,10H2,1H3.
What are the key properties of [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol?
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 290.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 66149405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).