2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole

C14H9BrF2N2O — CID 115911939

IUPAC2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole
SMILESCOc1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1Br
InChIInChI=1S/C14H9BrF2N2O/c1-20-11-5-2-7(6-8(11)15)14-18-10-4-3-9(16)12(17)13(10)19-14/h2-6H,1H3,(H,18,19)
InChIKeySZBLMLGNGDGVSV-UHFFFAOYSA-N
MW339.14 g/mol
LogP4.28
Rot. Bonds2

About 2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole

2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole (PubChem CID 115911939) has the molecular formula C14H9BrF2N2O and a molecular weight of 339.14 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole
PubChem CID115911939
Molecular FormulaC14H9BrF2N2O
Molecular Weight339.14 g/mol
Exact Mass337.99
IUPAC Name2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole
SMILESCOc1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1Br
InChIInChI=1S/C14H9BrF2N2O/c1-20-11-5-2-7(6-8(11)15)14-18-10-4-3-9(16)12(17)13(10)19-14/h2-6H,1H3,(H,18,19)
InChIKeySZBLMLGNGDGVSV-UHFFFAOYSA-N
XLogP4.28
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole
CID 79630480
2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole
CID 112556664
2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110534918
2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821859
2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole
CID 114020271
2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556458
2-chloro-4-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556537
2-amino-4-(4,5-difluoro-1H-benzimidazol-2-yl)phenol
CID 136872155
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole
CID 115911892
2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911966
4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 58065677
4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole
CID 115911975

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole (CID 115911939) is 2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole is COc1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole?
The InChIKey is SZBLMLGNGDGVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2O/c1-20-11-5-2-7(6-8(11)15)14-18-10-4-3-9(16)12(17)13(10)19-14/h2-6H,1H3,(H,18,19).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole?
2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole has a molecular weight of 339.14 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole is sourced from PubChem (CID 115911939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).