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

C15H10BrFN2O2 — CID 58164285

IUPAC6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole
SMILESFc1cc(Br)cc2[nH]c(C3COc4ccccc4O3)nc12
InChIInChI=1S/C15H10BrFN2O2/c16-8-5-9(17)14-10(6-8)18-15(19-14)13-7-20-11-3-1-2-4-12(11)21-13/h1-6,13H,7H2,(H,18,19)
InChIKeyWDCXUUACHBMEGY-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.98
Rot. Bonds1

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

6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole (PubChem CID 58164285) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole
PubChem CID58164285
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole
SMILESFc1cc(Br)cc2[nH]c(C3COc4ccccc4O3)nc12
InChIInChI=1S/C15H10BrFN2O2/c16-8-5-9(17)14-10(6-8)18-15(19-14)13-7-20-11-3-1-2-4-12(11)21-13/h1-6,13H,7H2,(H,18,19)
InChIKeyWDCXUUACHBMEGY-UHFFFAOYSA-N
XLogP3.98
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole
CID 60978794
6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole
CID 20561733
8-(2,3-dihydro-1,4-benzodioxin-3-yl)-7H-purine
CID 114402597
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)-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
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477522
4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 58164077
5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106479431
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475236
5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen
CID 163241870
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol
CID 65351596

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole (CID 58164285) is 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole is Fc1cc(Br)cc2[nH]c(C3COc4ccccc4O3)nc12.
What is the InChIKey of 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole?
The InChIKey is WDCXUUACHBMEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c16-8-5-9(17)14-10(6-8)18-15(19-14)13-7-20-11-3-1-2-4-12(11)21-13/h1-6,13H,7H2,(H,18,19).
What are the key properties of 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole?
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole has a molecular weight of 349.16 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole is sourced from PubChem (CID 58164285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).