4-bromo-5-chloro-1H-benzimidazole

C7H4BrClN2 — CID 118827406

IUPAC4-bromo-5-chloro-1H-benzimidazole
SMILESClc1ccc2[nH]cnc2c1Br
InChIInChI=1S/C7H4BrClN2/c8-6-4(9)1-2-5-7(6)11-3-10-5/h1-3H,(H,10,11)
InChIKeyPQDFVUZVPCDZFJ-UHFFFAOYSA-N
MW231.48 g/mol
LogP2.98
Rot. Bonds

About 4-bromo-5-chloro-1H-benzimidazole

4-bromo-5-chloro-1H-benzimidazole (PubChem CID 118827406) has the molecular formula C7H4BrClN2 and a molecular weight of 231.48 g/mol. Its IUPAC name is 4-bromo-5-chloro-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-5-chloro-1H-benzimidazole
PubChem CID118827406
Molecular FormulaC7H4BrClN2
Molecular Weight231.48 g/mol
Exact Mass229.92
IUPAC Name4-bromo-5-chloro-1H-benzimidazole
SMILESClc1ccc2[nH]cnc2c1Br
InChIInChI=1S/C7H4BrClN2/c8-6-4(9)1-2-5-7(6)11-3-10-5/h1-3H,(H,10,11)
InChIKeyPQDFVUZVPCDZFJ-UHFFFAOYSA-N
XLogP2.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-1H-benzimidazole?
The IUPAC name of 4-bromo-5-chloro-1H-benzimidazole (CID 118827406) is 4-bromo-5-chloro-1H-benzimidazole.
What is the SMILES notation for 4-bromo-5-chloro-1H-benzimidazole?
The canonical SMILES for 4-bromo-5-chloro-1H-benzimidazole is Clc1ccc2[nH]cnc2c1Br.
What is the InChIKey of 4-bromo-5-chloro-1H-benzimidazole?
The InChIKey is PQDFVUZVPCDZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN2/c8-6-4(9)1-2-5-7(6)11-3-10-5/h1-3H,(H,10,11).
What are the key properties of 4-bromo-5-chloro-1H-benzimidazole?
4-bromo-5-chloro-1H-benzimidazole has a molecular weight of 231.48 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-1H-benzimidazole is sourced from PubChem (CID 118827406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).