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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Related Compounds

2-bromo-5-(2-methoxy-5-methylphenyl)-1H-imidazole
CID 116884225
2-bromo-5-(2-chloro-4-methoxyphenyl)-1H-imidazole
CID 116884290
1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880660
2-chloro-5-(5-chloro-4-methoxy-2-methylphenyl)-1H-imidazole
CID 116884397
2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82304273
1-[2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84605929
5-(5-chloro-4-methoxy-2-methylphenyl)-2-methoxy-1H-imidazole
CID 116883699
2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole
CID 116884267
2-bromo-5-(3-bromo-4-methylphenyl)-1H-imidazole
CID 91361676
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine
CID 116879386
5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole
CID 116883755
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343

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).