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

C11H9BrCl2N2O — CID 84610428

IUPAC5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole
SMILESCOc1c(Cl)cc(Cl)cc1-c1nc(C)[nH]c1Br
InChIInChI=1S/C11H9BrCl2N2O/c1-5-15-9(11(12)16-5)7-3-6(13)4-8(14)10(7)17-2/h3-4H,1-2H3,(H,15,16)
InChIKeyKPVZKDHGGSYSJG-UHFFFAOYSA-N
MW336.02 g/mol
LogP4.46
Rot. Bonds2

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

5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole (PubChem CID 84610428) has the molecular formula C11H9BrCl2N2O and a molecular weight of 336.02 g/mol. Its IUPAC name is 5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole
PubChem CID84610428
Molecular FormulaC11H9BrCl2N2O
Molecular Weight336.02 g/mol
Exact Mass333.93
IUPAC Name5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole
SMILESCOc1c(Cl)cc(Cl)cc1-c1nc(C)[nH]c1Br
InChIInChI=1S/C11H9BrCl2N2O/c1-5-15-9(11(12)16-5)7-3-6(13)4-8(14)10(7)17-2/h3-4H,1-2H3,(H,15,16)
InChIKeyKPVZKDHGGSYSJG-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole?
The IUPAC name of 5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole (CID 84610428) is 5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole.
What is the SMILES notation for 5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole?
The canonical SMILES for 5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole is COc1c(Cl)cc(Cl)cc1-c1nc(C)[nH]c1Br.
What is the InChIKey of 5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole?
The InChIKey is KPVZKDHGGSYSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2O/c1-5-15-9(11(12)16-5)7-3-6(13)4-8(14)10(7)17-2/h3-4H,1-2H3,(H,15,16).
What are the key properties of 5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole?
5-bromo-4-(3,5-dichloro-2-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-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole is sourced from PubChem (CID 84610428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).