5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole

C15H10BrFN2O — CID 79599467

IUPAC5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3ccc4c(c3)CCO4)nc2cc1Br
InChIInChI=1S/C15H10BrFN2O/c16-10-6-12-13(7-11(10)17)19-15(18-12)9-1-2-14-8(5-9)3-4-20-14/h1-2,5-7H,3-4H2,(H,18,19)
InChIKeyOMOBWDQFCUJAJK-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.07
Rot. Bonds1

About 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole

5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole (PubChem CID 79599467) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole
PubChem CID79599467
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3ccc4c(c3)CCO4)nc2cc1Br
InChIInChI=1S/C15H10BrFN2O/c16-10-6-12-13(7-11(10)17)19-15(18-12)9-1-2-14-8(5-9)3-4-20-14/h1-2,5-7H,3-4H2,(H,18,19)
InChIKeyOMOBWDQFCUJAJK-UHFFFAOYSA-N
XLogP4.07
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole (CID 79599467) is 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole is Fc1cc2[nH]c(-c3ccc4c(c3)CCO4)nc2cc1Br.
What is the InChIKey of 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole?
The InChIKey is OMOBWDQFCUJAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-10-6-12-13(7-11(10)17)19-15(18-12)9-1-2-14-8(5-9)3-4-20-14/h1-2,5-7H,3-4H2,(H,18,19).
What are the key properties of 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole?
5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole has a molecular weight of 333.16 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 79599467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).