6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride

C10H13Cl2N3O2 — CID 167719364

IUPAC6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C10H11N3O2.2ClH/c11-5-10-12-6-3-8-9(4-7(6)13-10)15-2-1-14-8;;/h3-4H,1-2,5,11H2,(H,12,13);2*1H
InChIKeyLUYCFWMCPSNJMZ-UHFFFAOYSA-N
MW278.14 g/mol
LogP1.64
Rot. Bonds1

About 6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride

6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride (PubChem CID 167719364) has the molecular formula C10H13Cl2N3O2 and a molecular weight of 278.14 g/mol. Its IUPAC name is 6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride
PubChem CID167719364
Molecular FormulaC10H13Cl2N3O2
Molecular Weight278.14 g/mol
Exact Mass277.04
IUPAC Name6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C10H11N3O2.2ClH/c11-5-10-12-6-3-8-9(4-7(6)13-10)15-2-1-14-8;;/h3-4H,1-2,5,11H2,(H,12,13);2*1H
InChIKeyLUYCFWMCPSNJMZ-UHFFFAOYSA-N
XLogP1.64
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
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)propanamide
CID 82354702
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153941
2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 112603016
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propanoic acid
CID 6484257
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethyl)aniline
CID 65346593
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine
CID 84632810
2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 39158392
2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43168760
2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349059

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride?
The IUPAC name of 6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride (CID 167719364) is 6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride.
What is the SMILES notation for 6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride?
The canonical SMILES for 6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride is Cl.Cl.NCc1nc2cc3c(cc2[nH]1)OCCO3.
What is the InChIKey of 6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride?
The InChIKey is LUYCFWMCPSNJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2.2ClH/c11-5-10-12-6-3-8-9(4-7(6)13-10)15-2-1-14-8;;/h3-4H,1-2,5,11H2,(H,12,13);2*1H.
What are the key properties of 6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride?
6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride has a molecular weight of 278.14 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride is sourced from PubChem (CID 167719364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).