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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Related Compounds

4'-(6-bromo-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one
CID 44579809
methyl 4-(6-bromo-1H-benzimidazol-2-yl)benzoate
CID 103597104
6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole
CID 53325320
3-[5-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 138679113
2-[5-methyl-2-[(1S)-1-phenylmethoxyethyl]phenyl]-1H-benzimidazole
CID 132574229
2-[5-methyl-2-[(2S)-oxolan-2-yl]phenyl]-1H-benzimidazole
CID 134956094
2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole
CID 63743685
2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole
CID 64722512
2-(1,3-dihydro-2-benzofuran-5-yl)-4-fluoro-1H-benzimidazole
CID 64723752
5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole
CID 79598177
5-bromo-2-(2,3-dihydro-1-benzofuran-3-yl)-6-fluoro-1H-benzimidazole
CID 79599214
5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1H-benzimidazole
CID 79599467

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).