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

C10H7BrCl2N2O — CID 84604621

IUPAC5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2nc[nH]c2Br)c(Cl)c1Cl
InChIInChI=1S/C10H7BrCl2N2O/c1-16-6-3-2-5(7(12)8(6)13)9-10(11)15-4-14-9/h2-4H,1H3,(H,14,15)
InChIKeyYDWPDXQAFSLZCK-UHFFFAOYSA-N
MW321.99 g/mol
LogP4.15
Rot. Bonds2

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

5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-1H-imidazole (PubChem CID 84604621) has the molecular formula C10H7BrCl2N2O and a molecular weight of 321.99 g/mol. Its IUPAC name is 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-1H-imidazole
PubChem CID84604621
Molecular FormulaC10H7BrCl2N2O
Molecular Weight321.99 g/mol
Exact Mass319.91
IUPAC Name5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2nc[nH]c2Br)c(Cl)c1Cl
InChIInChI=1S/C10H7BrCl2N2O/c1-16-6-3-2-5(7(12)8(6)13)9-10(11)15-4-14-9/h2-4H,1H3,(H,14,15)
InChIKeyYDWPDXQAFSLZCK-UHFFFAOYSA-N
XLogP4.15
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.99
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-1H-imidazole?
The IUPAC name of 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-1H-imidazole (CID 84604621) is 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-1H-imidazole is COc1ccc(-c2nc[nH]c2Br)c(Cl)c1Cl.
What is the InChIKey of 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-1H-imidazole?
The InChIKey is YDWPDXQAFSLZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N2O/c1-16-6-3-2-5(7(12)8(6)13)9-10(11)15-4-14-9/h2-4H,1H3,(H,14,15).
What are the key properties of 5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-1H-imidazole?
5-bromo-4-(2,3-dichloro-4-methoxyphenyl)-1H-imidazole has a molecular weight of 321.99 g/mol, XLogP of 4.15, 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)-1H-imidazole is sourced from PubChem (CID 84604621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).