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

C15H13N3O2 — CID 43349089

IUPAC2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCc1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)n1
InChIInChI=1S/C15H13N3O2/c1-9-3-2-4-10(16-9)15-17-11-7-13-14(8-12(11)18-15)20-6-5-19-13/h2-4,7-8H,5-6H2,1H3,(H,17,18)
InChIKeyUNJFKUXGKWMAJQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.70
Rot. Bonds1

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

2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 43349089) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID43349089
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCc1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)n1
InChIInChI=1S/C15H13N3O2/c1-9-3-2-4-10(16-9)15-17-11-7-13-14(8-12(11)18-15)20-6-5-19-13/h2-4,7-8H,5-6H2,1H3,(H,17,18)
InChIKeyUNJFKUXGKWMAJQ-UHFFFAOYSA-N
XLogP2.70
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
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-methylaniline
CID 62948735
2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 106753298
2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349098
4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol
CID 136751368
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
2-(1,3-dimethylpyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 103849870
2-(3-bromo-5-methylphenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 115999480
6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile
CID 63722697
2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 102922100
2-(2-chlorofuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 106688273
2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole
CID 61025970
2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 11313172

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 43349089) is 2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is Cc1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is UNJFKUXGKWMAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-3-2-4-10(16-9)15-17-11-7-13-14(8-12(11)18-15)20-6-5-19-13/h2-4,7-8H,5-6H2,1H3,(H,17,18).
What are the key properties of 2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 267.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 43349089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).