2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

C13H10N4O2 — CID 102922100

IUPAC2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESc1ncc(-c2nc3cc4c(cc3[nH]2)OCCO4)cn1
InChIInChI=1S/C13H10N4O2/c1-2-19-12-4-10-9(3-11(12)18-1)16-13(17-10)8-5-14-7-15-6-8/h3-7H,1-2H2,(H,16,17)
InChIKeyLJFFQULKWLVADC-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.79
Rot. Bonds1

About 2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 102922100) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID102922100
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESc1ncc(-c2nc3cc4c(cc3[nH]2)OCCO4)cn1
InChIInChI=1S/C13H10N4O2/c1-2-19-12-4-10-9(3-11(12)18-1)16-13(17-10)8-5-14-7-15-6-8/h3-7H,1-2H2,(H,16,17)
InChIKeyLJFFQULKWLVADC-UHFFFAOYSA-N
XLogP1.79
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 55180183
2-(4-fluorophenyl)-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 43168735
2-(3-bromo-5-methylphenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 115999480
2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 106753298
4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol
CID 136751368
6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile
CID 63722697
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiophen-2-amine
CID 43114501
2-(2-chlorofuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 106688273
2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349089
6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922110
6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922101
2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349098

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 102922100) is 2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is c1ncc(-c2nc3cc4c(cc3[nH]2)OCCO4)cn1.
What is the InChIKey of 2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is LJFFQULKWLVADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-2-19-12-4-10-9(3-11(12)18-1)16-13(17-10)8-5-14-7-15-6-8/h3-7H,1-2H2,(H,16,17).
What are the key properties of 2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 254.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 102922100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).