2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole

C18H19BrN2O3 — CID 82144267

IUPAC2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
SMILESCOc1cc(-c2nc3cc(C)c(C)cc3[nH]2)c(Br)c(OC)c1OC
InChIInChI=1S/C18H19BrN2O3/c1-9-6-12-13(7-10(9)2)21-18(20-12)11-8-14(22-3)16(23-4)17(24-5)15(11)19/h6-8H,1-5H3,(H,20,21)
InChIKeyXUEOCRJSDWEQMX-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.64
Rot. Bonds4

About 2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole

2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole (PubChem CID 82144267) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
PubChem CID82144267
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
SMILESCOc1cc(-c2nc3cc(C)c(C)cc3[nH]2)c(Br)c(OC)c1OC
InChIInChI=1S/C18H19BrN2O3/c1-9-6-12-13(7-10(9)2)21-18(20-12)11-8-14(22-3)16(23-4)17(24-5)15(11)19/h6-8H,1-5H3,(H,20,21)
InChIKeyXUEOCRJSDWEQMX-UHFFFAOYSA-N
XLogP4.64
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole (CID 82144267) is 2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole is COc1cc(-c2nc3cc(C)c(C)cc3[nH]2)c(Br)c(OC)c1OC.
What is the InChIKey of 2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
The InChIKey is XUEOCRJSDWEQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-9-6-12-13(7-10(9)2)21-18(20-12)11-8-14(22-3)16(23-4)17(24-5)15(11)19/h6-8H,1-5H3,(H,20,21).
What are the key properties of 2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole has a molecular weight of 391.27 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 82144267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).