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

C13H16N2O3 — CID 112603016

IUPAC2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCC(C)OCc1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C13H16N2O3/c1-8(2)18-7-13-14-9-5-11-12(6-10(9)15-13)17-4-3-16-11/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyNLCWEXCZLPNWOC-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.26
Rot. Bonds3

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

2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 112603016) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID112603016
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCC(C)OCc1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C13H16N2O3/c1-8(2)18-7-13-14-9-5-11-12(6-10(9)15-13)17-4-3-16-11/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyNLCWEXCZLPNWOC-UHFFFAOYSA-N
XLogP2.26
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylbutyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349056
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine
CID 81073274
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethoxy)ethanamine
CID 79457371
6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride
CID 167719364
2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43168760
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153941
N-[2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337151
2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 83154943
6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole
CID 112603042
2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine
CID 112602881
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-3-methylbutan-1-amine
CID 65220910
2-(propan-2-yloxymethyl)-3H-benzimidazole-5-carboxylic acid
CID 112603089

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 112603016) is 2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is CC(C)OCc1nc2cc3c(cc2[nH]1)OCCO3.
What is the InChIKey of 2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is NLCWEXCZLPNWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(2)18-7-13-14-9-5-11-12(6-10(9)15-13)17-4-3-16-11/h5-6,8H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 248.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 112603016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).