6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole

C13H7BrClFN2 — CID 81454880

IUPAC6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
SMILESFc1cccc(-c2nc3ccc(Br)cc3[nH]2)c1Cl
InChIInChI=1S/C13H7BrClFN2/c14-7-4-5-10-11(6-7)18-13(17-10)8-2-1-3-9(16)12(8)15/h1-6H,(H,17,18)
InChIKeyWMENMKFVRRUOPS-UHFFFAOYSA-N
MW325.57 g/mol
LogP4.78
Rot. Bonds1

About 6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole

6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole (PubChem CID 81454880) has the molecular formula C13H7BrClFN2 and a molecular weight of 325.57 g/mol. Its IUPAC name is 6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
PubChem CID81454880
Molecular FormulaC13H7BrClFN2
Molecular Weight325.57 g/mol
Exact Mass323.95
IUPAC Name6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
SMILESFc1cccc(-c2nc3ccc(Br)cc3[nH]2)c1Cl
InChIInChI=1S/C13H7BrClFN2/c14-7-4-5-10-11(6-7)18-13(17-10)8-2-1-3-9(16)12(8)15/h1-6H,(H,17,18)
InChIKeyWMENMKFVRRUOPS-UHFFFAOYSA-N
XLogP4.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.57
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 82004589
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 66841439
6-bromo-2-(2-bromo-6-fluorophenyl)-1H-benzimidazole
CID 114560115
2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline
CID 62866966
4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 114271483
6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328
6-bromo-2-(3-chloro-4-fluorophenyl)-1H-benzimidazole
CID 71815925
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline
CID 54919605
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 64722322

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole (CID 81454880) is 6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole is Fc1cccc(-c2nc3ccc(Br)cc3[nH]2)c1Cl.
What is the InChIKey of 6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole?
The InChIKey is WMENMKFVRRUOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2/c14-7-4-5-10-11(6-7)18-13(17-10)8-2-1-3-9(16)12(8)15/h1-6H,(H,17,18).
What are the key properties of 6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole?
6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole has a molecular weight of 325.57 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole is sourced from PubChem (CID 81454880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).