2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

C10H10N2O2 — CID 2461344

IUPAC2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCc1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C10H10N2O2/c1-6-11-7-4-9-10(5-8(7)12-6)14-3-2-13-9/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyFKJSSWOXPYTQOL-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.64
Rot. Bonds

About 2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 2461344) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID2461344
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCc1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C10H10N2O2/c1-6-11-7-4-9-10(5-8(7)12-6)14-3-2-13-9/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyFKJSSWOXPYTQOL-UHFFFAOYSA-N
XLogP1.64
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 2461344) is 2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is Cc1nc2cc3c(cc2[nH]1)OCCO3.
What is the InChIKey of 2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is FKJSSWOXPYTQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-11-7-4-9-10(5-8(7)12-6)14-3-2-13-9/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 190.20 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 2461344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).