2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)imidazole

C18H18N2O3S — CID 56866107

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)imidazole
SMILESCOC(Cn1ccnc1-c1ccc2c(c1)OCCO2)c1cccs1
InChIInChI=1S/C18H18N2O3S/c1-21-16(17-3-2-10-24-17)12-20-7-6-19-18(20)13-4-5-14-15(11-13)23-9-8-22-14/h2-7,10-11,16H,8-9,12H2,1H3
InChIKeyGZHZDVTXFRNIJU-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.77
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)imidazole

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)imidazole (PubChem CID 56866107) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)imidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)imidazole
PubChem CID56866107
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)imidazole
SMILESCOC(Cn1ccnc1-c1ccc2c(c1)OCCO2)c1cccs1
InChIInChI=1S/C18H18N2O3S/c1-21-16(17-3-2-10-24-17)12-20-7-6-19-18(20)13-4-5-14-15(11-13)23-9-8-22-14/h2-7,10-11,16H,8-9,12H2,1H3
InChIKeyGZHZDVTXFRNIJU-UHFFFAOYSA-N
XLogP3.77
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)imidazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)imidazole (CID 56866107) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)imidazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)imidazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)imidazole is COC(Cn1ccnc1-c1ccc2c(c1)OCCO2)c1cccs1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)imidazole?
The InChIKey is GZHZDVTXFRNIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-21-16(17-3-2-10-24-17)12-20-7-6-19-18(20)13-4-5-14-15(11-13)23-9-8-22-14/h2-7,10-11,16H,8-9,12H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)imidazole?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)imidazole has a molecular weight of 342.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-2-thiophen-2-ylethyl)imidazole is sourced from PubChem (CID 56866107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).