5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole

C14H9Br2FN2O — CID 79630480

IUPAC5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole
SMILESCOc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1Br
InChIInChI=1S/C14H9Br2FN2O/c1-20-13-3-2-7(4-9(13)16)14-18-11-5-8(15)10(17)6-12(11)19-14/h2-6H,1H3,(H,18,19)
InChIKeyLQHSLCMBPWMMRC-UHFFFAOYSA-N
MW400.05 g/mol
LogP4.90
Rot. Bonds2

About 5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole

5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole (PubChem CID 79630480) has the molecular formula C14H9Br2FN2O and a molecular weight of 400.05 g/mol. Its IUPAC name is 5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole
PubChem CID79630480
Molecular FormulaC14H9Br2FN2O
Molecular Weight400.05 g/mol
Exact Mass397.91
IUPAC Name5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole
SMILESCOc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1Br
InChIInChI=1S/C14H9Br2FN2O/c1-20-13-3-2-7(4-9(13)16)14-18-11-5-8(15)10(17)6-12(11)19-14/h2-6H,1H3,(H,18,19)
InChIKeyLQHSLCMBPWMMRC-UHFFFAOYSA-N
XLogP4.90
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.05
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110534918
5-bromo-6-fluoro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 79631520
2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911939
2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110533986
2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017648
5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole
CID 79631508
5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
CID 79631220
4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile
CID 79631613
5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 79599219
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
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole
CID 142742969

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole (CID 79630480) is 5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole is COc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1Br.
What is the InChIKey of 5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole?
The InChIKey is LQHSLCMBPWMMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2FN2O/c1-20-13-3-2-7(4-9(13)16)14-18-11-5-8(15)10(17)6-12(11)19-14/h2-6H,1H3,(H,18,19).
What are the key properties of 5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole?
5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole has a molecular weight of 400.05 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 79630480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).