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

C11H5Br3N2S — CID 107963330

IUPAC6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole
SMILESBrc1ccc2nc(-c3cc(Br)sc3Br)[nH]c2c1
InChIInChI=1S/C11H5Br3N2S/c12-5-1-2-7-8(3-5)16-11(15-7)6-4-9(13)17-10(6)14/h1-4H,(H,15,16)
InChIKeyQRXBHEPLMFWUMI-UHFFFAOYSA-N
MW436.95 g/mol
LogP5.58
Rot. Bonds1

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

6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole (PubChem CID 107963330) has the molecular formula C11H5Br3N2S and a molecular weight of 436.95 g/mol. Its IUPAC name is 6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole
PubChem CID107963330
Molecular FormulaC11H5Br3N2S
Molecular Weight436.95 g/mol
Exact Mass433.77
IUPAC Name6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole
SMILESBrc1ccc2nc(-c3cc(Br)sc3Br)[nH]c2c1
InChIInChI=1S/C11H5Br3N2S/c12-5-1-2-7-8(3-5)16-11(15-7)6-4-9(13)17-10(6)14/h1-4H,(H,15,16)
InChIKeyQRXBHEPLMFWUMI-UHFFFAOYSA-N
XLogP5.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.95
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine
CID 107962399
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328
5-(6-bromo-1H-benzimidazol-2-yl)thiophen-2-amine
CID 60785682
6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 64723329
2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline
CID 62866966
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 81454880
2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline
CID 54919605
6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147
2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol
CID 81432484

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole (CID 107963330) is 6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole is Brc1ccc2nc(-c3cc(Br)sc3Br)[nH]c2c1.
What is the InChIKey of 6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole?
The InChIKey is QRXBHEPLMFWUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br3N2S/c12-5-1-2-7-8(3-5)16-11(15-7)6-4-9(13)17-10(6)14/h1-4H,(H,15,16).
What are the key properties of 6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole?
6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole has a molecular weight of 436.95 g/mol, XLogP of 5.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole is sourced from PubChem (CID 107963330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).