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

C15H10F2N2O2 — CID 115911892

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole
SMILESFc1ccc2[nH]c(-c3ccc4c(c3)OCCO4)nc2c1F
InChIInChI=1S/C15H10F2N2O2/c16-9-2-3-10-14(13(9)17)19-15(18-10)8-1-4-11-12(7-8)21-6-5-20-11/h1-4,7H,5-6H2,(H,18,19)
InChIKeyKDWDJYOBGDRIMC-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.28
Rot. Bonds1

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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole (PubChem CID 115911892) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole
PubChem CID115911892
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole
SMILESFc1ccc2[nH]c(-c3ccc4c(c3)OCCO4)nc2c1F
InChIInChI=1S/C15H10F2N2O2/c16-9-2-3-10-14(13(9)17)19-15(18-10)8-1-4-11-12(7-8)21-6-5-20-11/h1-4,7H,5-6H2,(H,18,19)
InChIKeyKDWDJYOBGDRIMC-UHFFFAOYSA-N
XLogP3.28
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole (CID 115911892) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole is Fc1ccc2[nH]c(-c3ccc4c(c3)OCCO4)nc2c1F.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole?
The InChIKey is KDWDJYOBGDRIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-9-2-3-10-14(13(9)17)19-15(18-10)8-1-4-11-12(7-8)21-6-5-20-11/h1-4,7H,5-6H2,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole has a molecular weight of 288.25 g/mol, XLogP of 3.28, 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-6-yl)-4,5-difluoro-1H-benzimidazole is sourced from PubChem (CID 115911892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).