5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-2-methyl-1H-imidazole

C11H9BrCl2N2O — CID 84610430

IUPAC5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-2-methyl-1H-imidazole
SMILESCOc1ccc(-c2nc(C)[nH]c2Br)c(Cl)c1Cl
InChIInChI=1S/C11H9BrCl2N2O/c1-5-15-10(11(12)16-5)6-3-4-7(17-2)9(14)8(6)13/h3-4H,1-2H3,(H,15,16)
InChIKeyIOSXRRBMPNPICI-UHFFFAOYSA-N
MW336.02 g/mol
LogP4.46
Rot. Bonds2

About 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-2-methyl-1H-imidazole

5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-2-methyl-1H-imidazole (PubChem CID 84610430) has the molecular formula C11H9BrCl2N2O and a molecular weight of 336.02 g/mol. Its IUPAC name is 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-2-methyl-1H-imidazole
PubChem CID84610430
Molecular FormulaC11H9BrCl2N2O
Molecular Weight336.02 g/mol
Exact Mass333.93
IUPAC Name5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-2-methyl-1H-imidazole
SMILESCOc1ccc(-c2nc(C)[nH]c2Br)c(Cl)c1Cl
InChIInChI=1S/C11H9BrCl2N2O/c1-5-15-10(11(12)16-5)6-3-4-7(17-2)9(14)8(6)13/h3-4H,1-2H3,(H,15,16)
InChIKeyIOSXRRBMPNPICI-UHFFFAOYSA-N
XLogP4.46
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-1H-imidazole
CID 84604621
5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole
CID 84610428
5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole
CID 116869199
4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82308864
[4-(2,4-dimethoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82302244
1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene
CID 54485127
2-[5-methoxy-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134636450
5-chloro-4-(4-methoxyphenyl)-2-methyl-1H-imidazole
CID 54002462
7-chloro-6-methoxy-2-methyl-1H-indole
CID 130063664
5-(2,3-dichloro-4-methoxyphenyl)-1H-pyrazole-3-carbonitrile
CID 116858586
1-bromo-3-chloro-2,4-dimethoxybenzene
CID 53217015
4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine
CID 63632217

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-2-methyl-1H-imidazole?
The IUPAC name of 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-2-methyl-1H-imidazole (CID 84610430) is 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-2-methyl-1H-imidazole.
What is the SMILES notation for 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-2-methyl-1H-imidazole?
The canonical SMILES for 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-2-methyl-1H-imidazole is COc1ccc(-c2nc(C)[nH]c2Br)c(Cl)c1Cl.
What is the InChIKey of 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-2-methyl-1H-imidazole?
The InChIKey is IOSXRRBMPNPICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2O/c1-5-15-10(11(12)16-5)6-3-4-7(17-2)9(14)8(6)13/h3-4H,1-2H3,(H,15,16).
What are the key properties of 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-2-methyl-1H-imidazole?
5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-2-methyl-1H-imidazole has a molecular weight of 336.02 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-2-methyl-1H-imidazole is sourced from PubChem (CID 84610430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).