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

C16H15BrN2O — CID 82946953

IUPAC2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole
SMILESCOc1ccc(Br)c(-c2nc3c(C)cc(C)cc3[nH]2)c1
InChIInChI=1S/C16H15BrN2O/c1-9-6-10(2)15-14(7-9)18-16(19-15)12-8-11(20-3)4-5-13(12)17/h4-8H,1-3H3,(H,18,19)
InChIKeyJIAKFXWYHDEESY-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.62
Rot. Bonds2

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

2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole (PubChem CID 82946953) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole
PubChem CID82946953
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole
SMILESCOc1ccc(Br)c(-c2nc3c(C)cc(C)cc3[nH]2)c1
InChIInChI=1S/C16H15BrN2O/c1-9-6-10(2)15-14(7-9)18-16(19-15)12-8-11(20-3)4-5-13(12)17/h4-8H,1-3H3,(H,18,19)
InChIKeyJIAKFXWYHDEESY-UHFFFAOYSA-N
XLogP4.62
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole (CID 82946953) is 2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole is COc1ccc(Br)c(-c2nc3c(C)cc(C)cc3[nH]2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole?
The InChIKey is JIAKFXWYHDEESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-9-6-10(2)15-14(7-9)18-16(19-15)12-8-11(20-3)4-5-13(12)17/h4-8H,1-3H3,(H,18,19).
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole?
2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole has a molecular weight of 331.21 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 82946953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).