2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole

C17H16N2O2 — CID 61025970

IUPAC2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(-c3cccc4c3OCCO4)[nH]c2cc1C
InChIInChI=1S/C17H16N2O2/c1-10-8-13-14(9-11(10)2)19-17(18-13)12-4-3-5-15-16(12)21-7-6-20-15/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)
InChIKeyKPHFBYOFINFEKC-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.62
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole

2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole (PubChem CID 61025970) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole
PubChem CID61025970
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(-c3cccc4c3OCCO4)[nH]c2cc1C
InChIInChI=1S/C17H16N2O2/c1-10-8-13-14(9-11(10)2)19-17(18-13)12-4-3-5-15-16(12)21-7-6-20-15/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)
InChIKeyKPHFBYOFINFEKC-UHFFFAOYSA-N
XLogP3.62
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole
CID 56737110
2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 107049902
2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349089
2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349098
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 68501402
2-(1,3-dimethylpyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 103849870
8-(2,3-dihydro-1,4-benzodioxin-5-yl)-3,7-dihydropurine-2,6-dione
CID 114403014
2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 11313172
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol
CID 136762946
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903792
2-(4-fluoro-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 112688356

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole (CID 61025970) is 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole is Cc1cc2nc(-c3cccc4c3OCCO4)[nH]c2cc1C.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole?
The InChIKey is KPHFBYOFINFEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-8-13-14(9-11(10)2)19-17(18-13)12-4-3-5-15-16(12)21-7-6-20-15/h3-5,8-9H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole?
2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole has a molecular weight of 280.33 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 61025970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).