2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

C14H16N2O3 — CID 55151063

IUPAC2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESc1c2c(cc3[nH]c(C4CCCOC4)nc13)OCCO2
InChIInChI=1S/C14H16N2O3/c1-2-9(8-17-3-1)14-15-10-6-12-13(7-11(10)16-14)19-5-4-18-12/h6-7,9H,1-5,8H2,(H,15,16)
InChIKeyXTMGUPQQESOOCN-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.23
Rot. Bonds1

About 2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 55151063) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID55151063
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESc1c2c(cc3[nH]c(C4CCCOC4)nc13)OCCO2
InChIInChI=1S/C14H16N2O3/c1-2-9(8-17-3-1)14-15-10-6-12-13(7-11(10)16-14)19-5-4-18-12/h6-7,9H,1-5,8H2,(H,15,16)
InChIKeyXTMGUPQQESOOCN-UHFFFAOYSA-N
XLogP2.23
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 55151063) is 2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is c1c2c(cc3[nH]c(C4CCCOC4)nc13)OCCO2.
What is the InChIKey of 2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is XTMGUPQQESOOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-9(8-17-3-1)14-15-10-6-12-13(7-11(10)16-14)19-5-4-18-12/h6-7,9H,1-5,8H2,(H,15,16).
What are the key properties of 2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 260.29 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 55151063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).