4-bromo-7-chloro-1-methylbenzimidazole

C8H6BrClN2 — CID 166484989

IUPAC4-bromo-7-chloro-1-methylbenzimidazole
SMILESCn1cnc2c(Br)ccc(Cl)c21
InChIInChI=1S/C8H6BrClN2/c1-12-4-11-7-5(9)2-3-6(10)8(7)12/h2-4H,1H3
InChIKeyZGHOCSHLHVKHGG-UHFFFAOYSA-N
MW245.51 g/mol
LogP2.99
Rot. Bonds

About 4-bromo-7-chloro-1-methylbenzimidazole

4-bromo-7-chloro-1-methylbenzimidazole (PubChem CID 166484989) has the molecular formula C8H6BrClN2 and a molecular weight of 245.51 g/mol. Its IUPAC name is 4-bromo-7-chloro-1-methylbenzimidazole.

Molecular Properties

Compound Name4-bromo-7-chloro-1-methylbenzimidazole
PubChem CID166484989
Molecular FormulaC8H6BrClN2
Molecular Weight245.51 g/mol
Exact Mass243.94
IUPAC Name4-bromo-7-chloro-1-methylbenzimidazole
SMILESCn1cnc2c(Br)ccc(Cl)c21
InChIInChI=1S/C8H6BrClN2/c1-12-4-11-7-5(9)2-3-6(10)8(7)12/h2-4H,1H3
InChIKeyZGHOCSHLHVKHGG-UHFFFAOYSA-N
XLogP2.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-chloro-1-methylbenzimidazole?
The IUPAC name of 4-bromo-7-chloro-1-methylbenzimidazole (CID 166484989) is 4-bromo-7-chloro-1-methylbenzimidazole.
What is the SMILES notation for 4-bromo-7-chloro-1-methylbenzimidazole?
The canonical SMILES for 4-bromo-7-chloro-1-methylbenzimidazole is Cn1cnc2c(Br)ccc(Cl)c21.
What is the InChIKey of 4-bromo-7-chloro-1-methylbenzimidazole?
The InChIKey is ZGHOCSHLHVKHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2/c1-12-4-11-7-5(9)2-3-6(10)8(7)12/h2-4H,1H3.
What are the key properties of 4-bromo-7-chloro-1-methylbenzimidazole?
4-bromo-7-chloro-1-methylbenzimidazole has a molecular weight of 245.51 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-chloro-1-methylbenzimidazole is sourced from PubChem (CID 166484989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).