5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole

C13H6Br2ClFN2 — CID 107939500

IUPAC5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3cc(Cl)cc(Br)c3)nc2cc1Br
InChIInChI=1S/C13H6Br2ClFN2/c14-7-1-6(2-8(16)3-7)13-18-11-4-9(15)10(17)5-12(11)19-13/h1-5H,(H,18,19)
InChIKeySCTBGFXTCOKOFZ-UHFFFAOYSA-N
MW404.46 g/mol
LogP5.55
Rot. Bonds1

About 5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole

5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole (PubChem CID 107939500) has the molecular formula C13H6Br2ClFN2 and a molecular weight of 404.46 g/mol. Its IUPAC name is 5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole
PubChem CID107939500
Molecular FormulaC13H6Br2ClFN2
Molecular Weight404.46 g/mol
Exact Mass401.86
IUPAC Name5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3cc(Cl)cc(Br)c3)nc2cc1Br
InChIInChI=1S/C13H6Br2ClFN2/c14-7-1-6(2-8(16)3-7)13-18-11-4-9(15)10(17)5-12(11)19-13/h1-5H,(H,18,19)
InChIKeySCTBGFXTCOKOFZ-UHFFFAOYSA-N
XLogP5.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.46
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 79631329
5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 79631691
5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
CID 79631220
5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 79631134
5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole
CID 79631508
2-(3-bromo-5-chlorophenyl)-3H-imidazo[4,5-c]pyridine
CID 107939473
4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile
CID 79631613
5-bromo-6-fluoro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 79631520
5-bromo-6-fluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 79631045
2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
CID 107989360
2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 79631765
5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 79599219

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole (CID 107939500) is 5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole is Fc1cc2[nH]c(-c3cc(Cl)cc(Br)c3)nc2cc1Br.
What is the InChIKey of 5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole?
The InChIKey is SCTBGFXTCOKOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2ClFN2/c14-7-1-6(2-8(16)3-7)13-18-11-4-9(15)10(17)5-12(11)19-13/h1-5H,(H,18,19).
What are the key properties of 5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole?
5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole has a molecular weight of 404.46 g/mol, XLogP of 5.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 107939500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).