2,4,6-tribromo-1H-benzimidazole

C7H3Br3N2 — CID 130864001

IUPAC2,4,6-tribromo-1H-benzimidazole
SMILESBrc1cc(Br)c2nc(Br)[nH]c2c1
InChIInChI=1S/C7H3Br3N2/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H,11,12)
InChIKeyZIXUICHUGHUGMY-UHFFFAOYSA-N
MW354.83 g/mol
LogP3.85
Rot. Bonds

About 2,4,6-tribromo-1H-benzimidazole

2,4,6-tribromo-1H-benzimidazole (PubChem CID 130864001) has the molecular formula C7H3Br3N2 and a molecular weight of 354.83 g/mol. Its IUPAC name is 2,4,6-tribromo-1H-benzimidazole.

Molecular Properties

Compound Name2,4,6-tribromo-1H-benzimidazole
PubChem CID130864001
Molecular FormulaC7H3Br3N2
Molecular Weight354.83 g/mol
Exact Mass351.78
IUPAC Name2,4,6-tribromo-1H-benzimidazole
SMILESBrc1cc(Br)c2nc(Br)[nH]c2c1
InChIInChI=1S/C7H3Br3N2/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H,11,12)
InChIKeyZIXUICHUGHUGMY-UHFFFAOYSA-N
XLogP3.85
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-dibromo-2-(chloromethyl)-1H-benzimidazole
CID 11174733
2,6-dibromo-1H-benzimidazole-4-carbonitrile
CID 131119039
2-bromo-6-chloro-4-fluoro-1H-benzimidazole
CID 130895995
4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole
CID 91686527
4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 91686412
(NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine
CID 177430751
4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole
CID 91530135
2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile
CID 130052815
4,6-dibromo-2-[2-(4-nitrophenyl)ethylsulfanyl]-1H-benzimidazole
CID 11259623
3,6,8-tribromoquinoline
CID 91172401
2,4-dibromo-1H-benzimidazole-5-carboxylic acid
CID 131190484
2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid
CID 131501525

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-1H-benzimidazole?
The IUPAC name of 2,4,6-tribromo-1H-benzimidazole (CID 130864001) is 2,4,6-tribromo-1H-benzimidazole.
What is the SMILES notation for 2,4,6-tribromo-1H-benzimidazole?
The canonical SMILES for 2,4,6-tribromo-1H-benzimidazole is Brc1cc(Br)c2nc(Br)[nH]c2c1.
What is the InChIKey of 2,4,6-tribromo-1H-benzimidazole?
The InChIKey is ZIXUICHUGHUGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br3N2/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H,11,12).
What are the key properties of 2,4,6-tribromo-1H-benzimidazole?
2,4,6-tribromo-1H-benzimidazole has a molecular weight of 354.83 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-1H-benzimidazole is sourced from PubChem (CID 130864001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).