4-bromo-1H-benzimidazole

C7H5BrN2 — CID 11252584

IUPAC4-bromo-1H-benzimidazole
SMILESBrc1cccc2[nH]cnc12
InChIInChI=1S/C7H5BrN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)
InChIKeyMUQFMGBYYAOIJK-UHFFFAOYSA-N
MW197.04 g/mol
LogP2.33
Rot. Bonds

About 4-bromo-1H-benzimidazole

4-bromo-1H-benzimidazole (PubChem CID 11252584) has the molecular formula C7H5BrN2 and a molecular weight of 197.04 g/mol. Its IUPAC name is 4-bromo-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-1H-benzimidazole
PubChem CID11252584
Molecular FormulaC7H5BrN2
Molecular Weight197.04 g/mol
Exact Mass195.96
IUPAC Name4-bromo-1H-benzimidazole
SMILESBrc1cccc2[nH]cnc12
InChIInChI=1S/C7H5BrN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)
InChIKeyMUQFMGBYYAOIJK-UHFFFAOYSA-N
XLogP2.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.04
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-benzimidazole?
The IUPAC name of 4-bromo-1H-benzimidazole (CID 11252584) is 4-bromo-1H-benzimidazole.
What is the SMILES notation for 4-bromo-1H-benzimidazole?
The canonical SMILES for 4-bromo-1H-benzimidazole is Brc1cccc2[nH]cnc12.
What is the InChIKey of 4-bromo-1H-benzimidazole?
The InChIKey is MUQFMGBYYAOIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10).
What are the key properties of 4-bromo-1H-benzimidazole?
4-bromo-1H-benzimidazole has a molecular weight of 197.04 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1H-benzimidazole is sourced from PubChem (CID 11252584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).