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

C15H11BrN2O — CID 64723325

IUPAC6-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-1H-benzimidazole
SMILESBrc1ccc2nc(-c3ccc4c(c3)COC4)[nH]c2c1
InChIInChI=1S/C15H11BrN2O/c16-12-3-4-13-14(6-12)18-15(17-13)9-1-2-10-7-19-8-11(10)5-9/h1-6H,7-8H2,(H,17,18)
InChIKeyPNBMVRJGLCGWHA-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.02
Rot. Bonds1

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

6-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-1H-benzimidazole (PubChem CID 64723325) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 6-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-1H-benzimidazole
PubChem CID64723325
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name6-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-1H-benzimidazole
SMILESBrc1ccc2nc(-c3ccc4c(c3)COC4)[nH]c2c1
InChIInChI=1S/C15H11BrN2O/c16-12-3-4-13-14(6-12)18-15(17-13)9-1-2-10-7-19-8-11(10)5-9/h1-6H,7-8H2,(H,17,18)
InChIKeyPNBMVRJGLCGWHA-UHFFFAOYSA-N
XLogP4.02
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-1H-benzimidazole (CID 64723325) is 6-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-1H-benzimidazole is Brc1ccc2nc(-c3ccc4c(c3)COC4)[nH]c2c1.
What is the InChIKey of 6-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-1H-benzimidazole?
The InChIKey is PNBMVRJGLCGWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-12-3-4-13-14(6-12)18-15(17-13)9-1-2-10-7-19-8-11(10)5-9/h1-6H,7-8H2,(H,17,18).
What are the key properties of 6-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-1H-benzimidazole?
6-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-1H-benzimidazole has a molecular weight of 315.17 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-1H-benzimidazole is sourced from PubChem (CID 64723325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).