2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

C15H10BrFN2O2 — CID 43349104

IUPAC2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESFc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C15H10BrFN2O2/c16-8-1-2-10(17)9(5-8)15-18-11-6-13-14(7-12(11)19-15)21-4-3-20-13/h1-2,5-7H,3-4H2,(H,18,19)
InChIKeyTXDUYGLGONZILE-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.90
Rot. Bonds1

About 2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 43349104) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID43349104
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESFc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C15H10BrFN2O2/c16-8-1-2-10(17)9(5-8)15-18-11-6-13-14(7-12(11)19-15)21-4-3-20-13/h1-2,5-7H,3-4H2,(H,18,19)
InChIKeyTXDUYGLGONZILE-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)aniline
CID 60915608
2-(5-bromo-2-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185573
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol
CID 137011218
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)thiophen-2-amine
CID 43114501
2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole
CID 114373862
2-(2-chlorofuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 106688273
2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908153
2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349098
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-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463556
5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 79631329

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 43349104) is 2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is Fc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)OCCO3.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is TXDUYGLGONZILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c16-8-1-2-10(17)9(5-8)15-18-11-6-13-14(7-12(11)19-15)21-4-3-20-13/h1-2,5-7H,3-4H2,(H,18,19).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 349.16 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 43349104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).