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

C15H11ClN2O2 — CID 20561733

IUPAC6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole
SMILESClc1ccc2nc(C3COc4ccccc4O3)[nH]c2c1
InChIInChI=1S/C15H11ClN2O2/c16-9-5-6-10-11(7-9)18-15(17-10)14-8-19-12-3-1-2-4-13(12)20-14/h1-7,14H,8H2,(H,17,18)
InChIKeyKGOCSMYXOOWRFJ-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.73
Rot. Bonds1

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

6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole (PubChem CID 20561733) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole
PubChem CID20561733
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole
SMILESClc1ccc2nc(C3COc4ccccc4O3)[nH]c2c1
InChIInChI=1S/C15H11ClN2O2/c16-9-5-6-10-11(7-9)18-15(17-10)14-8-19-12-3-1-2-4-13(12)20-14/h1-7,14H,8H2,(H,17,18)
InChIKeyKGOCSMYXOOWRFJ-UHFFFAOYSA-N
XLogP3.73
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004144
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole
CID 58164303
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole
CID 60978794
4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 58164077
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)-6-pyridin-4-yl-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 117074800
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole
CID 58164285
8-(2,3-dihydro-1,4-benzodioxin-3-yl)-7H-purine
CID 114402597
3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 102390074
4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine
CID 66238869
6-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-pyrimidine-4-thione
CID 106475996
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477522
6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole
CID 60648934

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole (CID 20561733) is 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole is Clc1ccc2nc(C3COc4ccccc4O3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole?
The InChIKey is KGOCSMYXOOWRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-9-5-6-10-11(7-9)18-15(17-10)14-8-19-12-3-1-2-4-13(12)20-14/h1-7,14H,8H2,(H,17,18).
What are the key properties of 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole?
6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole has a molecular weight of 286.72 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole is sourced from PubChem (CID 20561733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).