2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole

C12H13BrN2O — CID 116884267

IUPAC2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole
SMILESCCOc1ccc(-c2cnc(Br)[nH]2)cc1C
InChIInChI=1S/C12H13BrN2O/c1-3-16-11-5-4-9(6-8(11)2)10-7-14-12(13)15-10/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyZLBDMXFREYBONY-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.55
Rot. Bonds3

About 2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole

2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole (PubChem CID 116884267) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole
PubChem CID116884267
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole
SMILESCCOc1ccc(-c2cnc(Br)[nH]2)cc1C
InChIInChI=1S/C12H13BrN2O/c1-3-16-11-5-4-9(6-8(11)2)10-7-14-12(13)15-10/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyZLBDMXFREYBONY-UHFFFAOYSA-N
XLogP3.55
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide
CID 116883976
2-bromo-5-(3-bromo-4-methylphenyl)-1H-imidazole
CID 91361676
6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione
CID 82295142
5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-amine
CID 82286480
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
2-bromo-5-(3-methylphenyl)-1H-imidazole
CID 105498727
5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole
CID 116883702
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876636
2-bromo-5-(2-methoxy-5-methylphenyl)-1H-imidazole
CID 116884225
2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95469456
[4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine
CID 82289248

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole?
The IUPAC name of 2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole (CID 116884267) is 2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole.
What is the SMILES notation for 2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole?
The canonical SMILES for 2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole is CCOc1ccc(-c2cnc(Br)[nH]2)cc1C.
What is the InChIKey of 2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole?
The InChIKey is ZLBDMXFREYBONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-3-16-11-5-4-9(6-8(11)2)10-7-14-12(13)15-10/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole?
2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole has a molecular weight of 281.15 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole is sourced from PubChem (CID 116884267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).