[2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol

C14H16N2OS2 — CID 79227620

IUPAC[2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCC1Cc2ccccc2S1
InChIInChI=1S/C14H16N2OS2/c1-16-11(8-17)7-15-14(16)18-9-12-6-10-4-2-3-5-13(10)19-12/h2-5,7,12,17H,6,8-9H2,1H3
InChIKeyGXDVHMVUSBXPOD-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.72
Rot. Bonds4

About [2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol

[2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol (PubChem CID 79227620) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is [2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol
PubChem CID79227620
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name[2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCC1Cc2ccccc2S1
InChIInChI=1S/C14H16N2OS2/c1-16-11(8-17)7-15-14(16)18-9-12-6-10-4-2-3-5-13(10)19-12/h2-5,7,12,17H,6,8-9H2,1H3
InChIKeyGXDVHMVUSBXPOD-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol (CID 79227620) is [2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol is Cn1c(CO)cnc1SCC1Cc2ccccc2S1.
What is the InChIKey of [2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol?
The InChIKey is GXDVHMVUSBXPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-16-11(8-17)7-15-14(16)18-9-12-6-10-4-2-3-5-13(10)19-12/h2-5,7,12,17H,6,8-9H2,1H3.
What are the key properties of [2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol?
[2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol has a molecular weight of 292.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 79227620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).