2-(2-bromo-4,5-dimethoxyphenyl)-1H-benzimidazole

C15H13BrN2O2 — CID 132585889

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-1H-benzimidazole
SMILESCOc1cc(Br)c(-c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C15H13BrN2O2/c1-19-13-7-9(10(16)8-14(13)20-2)15-17-11-5-3-4-6-12(11)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyFGWXONIMRIMEJZ-UHFFFAOYSA-N
MW333.19 g/mol
LogP4.01
Rot. Bonds3

About 2-(2-bromo-4,5-dimethoxyphenyl)-1H-benzimidazole

2-(2-bromo-4,5-dimethoxyphenyl)-1H-benzimidazole (PubChem CID 132585889) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-1H-benzimidazole
PubChem CID132585889
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-1H-benzimidazole
SMILESCOc1cc(Br)c(-c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C15H13BrN2O2/c1-19-13-7-9(10(16)8-14(13)20-2)15-17-11-5-3-4-6-12(11)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyFGWXONIMRIMEJZ-UHFFFAOYSA-N
XLogP4.01
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-1H-benzimidazole (CID 132585889) is 2-(2-bromo-4,5-dimethoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-1H-benzimidazole is COc1cc(Br)c(-c2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-1H-benzimidazole?
The InChIKey is FGWXONIMRIMEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-19-13-7-9(10(16)8-14(13)20-2)15-17-11-5-3-4-6-12(11)18-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-1H-benzimidazole?
2-(2-bromo-4,5-dimethoxyphenyl)-1H-benzimidazole has a molecular weight of 333.19 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 132585889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).