2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole

C12H13BrN2O — CID 116884250

IUPAC2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole
SMILESCOc1cc(C)c(C)cc1-c1cnc(Br)[nH]1
InChIInChI=1S/C12H13BrN2O/c1-7-4-9(10-6-14-12(13)15-10)11(16-3)5-8(7)2/h4-6H,1-3H3,(H,14,15)
InChIKeyDPYZENCYWBKNEI-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.46
Rot. Bonds2

About 2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole

2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole (PubChem CID 116884250) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole
PubChem CID116884250
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole
SMILESCOc1cc(C)c(C)cc1-c1cnc(Br)[nH]1
InChIInChI=1S/C12H13BrN2O/c1-7-4-9(10-6-14-12(13)15-10)11(16-3)5-8(7)2/h4-6H,1-3H3,(H,14,15)
InChIKeyDPYZENCYWBKNEI-UHFFFAOYSA-N
XLogP3.46
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole?
The IUPAC name of 2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole (CID 116884250) is 2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole.
What is the SMILES notation for 2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole?
The canonical SMILES for 2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole is COc1cc(C)c(C)cc1-c1cnc(Br)[nH]1.
What is the InChIKey of 2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole?
The InChIKey is DPYZENCYWBKNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-7-4-9(10-6-14-12(13)15-10)11(16-3)5-8(7)2/h4-6H,1-3H3,(H,14,15).
What are the key properties of 2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole?
2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole has a molecular weight of 281.15 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole is sourced from PubChem (CID 116884250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).