2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole

C8H4BrClF2N2O — CID 131474624

IUPAC2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole
SMILESFC(F)Oc1cc2nc(Br)[nH]c2cc1Cl
InChIInChI=1S/C8H4BrClF2N2O/c9-7-13-4-1-3(10)6(15-8(11)12)2-5(4)14-7/h1-2,8H,(H,13,14)
InChIKeyIOCPONPGIBYWDI-UHFFFAOYSA-N
MW297.49 g/mol
LogP3.58
Rot. Bonds2

About 2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole

2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole (PubChem CID 131474624) has the molecular formula C8H4BrClF2N2O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole.

Molecular Properties

Compound Name2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole
PubChem CID131474624
Molecular FormulaC8H4BrClF2N2O
Molecular Weight297.49 g/mol
Exact Mass295.92
IUPAC Name2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole
SMILESFC(F)Oc1cc2nc(Br)[nH]c2cc1Cl
InChIInChI=1S/C8H4BrClF2N2O/c9-7-13-4-1-3(10)6(15-8(11)12)2-5(4)14-7/h1-2,8H,(H,13,14)
InChIKeyIOCPONPGIBYWDI-UHFFFAOYSA-N
XLogP3.58
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole
CID 130053401
2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride
CID 131477894
5-chloro-6-(difluoromethoxy)-1H-indazole
CID 171662371
1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene
CID 75365418
4-bromo-2-chloro-1-(difluoromethoxy)benzene
CID 46311538
5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole
CID 82005562
5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole
CID 154116934
2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine
CID 167456312
2-bromo-6-chloro-4-fluoro-1H-benzimidazole
CID 130895995
2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole
CID 131497083
1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone
CID 131587225
2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole
CID 110532332

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole?
The IUPAC name of 2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole (CID 131474624) is 2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole.
What is the SMILES notation for 2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole?
The canonical SMILES for 2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole is FC(F)Oc1cc2nc(Br)[nH]c2cc1Cl.
What is the InChIKey of 2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole?
The InChIKey is IOCPONPGIBYWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF2N2O/c9-7-13-4-1-3(10)6(15-8(11)12)2-5(4)14-7/h1-2,8H,(H,13,14).
What are the key properties of 2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole?
2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole has a molecular weight of 297.49 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole is sourced from PubChem (CID 131474624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).