4-bromo-6-chloro-2-phenyl-1H-benzimidazole

C13H8BrClN2 — CID 53438662

IUPAC4-bromo-6-chloro-2-phenyl-1H-benzimidazole
SMILESClc1cc(Br)c2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C13H8BrClN2/c14-10-6-9(15)7-11-12(10)17-13(16-11)8-4-2-1-3-5-8/h1-7H,(H,16,17)
InChIKeyCSWLSNZWBSUXNA-UHFFFAOYSA-N
MW307.58 g/mol
LogP4.65
Rot. Bonds1

About 4-bromo-6-chloro-2-phenyl-1H-benzimidazole

4-bromo-6-chloro-2-phenyl-1H-benzimidazole (PubChem CID 53438662) has the molecular formula C13H8BrClN2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 4-bromo-6-chloro-2-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-6-chloro-2-phenyl-1H-benzimidazole
PubChem CID53438662
Molecular FormulaC13H8BrClN2
Molecular Weight307.58 g/mol
Exact Mass305.96
IUPAC Name4-bromo-6-chloro-2-phenyl-1H-benzimidazole
SMILESClc1cc(Br)c2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C13H8BrClN2/c14-10-6-9(15)7-11-12(10)17-13(16-11)8-4-2-1-3-5-8/h1-7H,(H,16,17)
InChIKeyCSWLSNZWBSUXNA-UHFFFAOYSA-N
XLogP4.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-2-phenyl-1H-benzimidazole?
The IUPAC name of 4-bromo-6-chloro-2-phenyl-1H-benzimidazole (CID 53438662) is 4-bromo-6-chloro-2-phenyl-1H-benzimidazole.
What is the SMILES notation for 4-bromo-6-chloro-2-phenyl-1H-benzimidazole?
The canonical SMILES for 4-bromo-6-chloro-2-phenyl-1H-benzimidazole is Clc1cc(Br)c2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 4-bromo-6-chloro-2-phenyl-1H-benzimidazole?
The InChIKey is CSWLSNZWBSUXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2/c14-10-6-9(15)7-11-12(10)17-13(16-11)8-4-2-1-3-5-8/h1-7H,(H,16,17).
What are the key properties of 4-bromo-6-chloro-2-phenyl-1H-benzimidazole?
4-bromo-6-chloro-2-phenyl-1H-benzimidazole has a molecular weight of 307.58 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-2-phenyl-1H-benzimidazole is sourced from PubChem (CID 53438662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).