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

C10H8Br2N2 — CID 91361676

IUPAC2-bromo-5-(3-bromo-4-methylphenyl)-1H-imidazole
SMILESCc1ccc(-c2cnc(Br)[nH]2)cc1Br
InChIInChI=1S/C10H8Br2N2/c1-6-2-3-7(4-8(6)11)9-5-13-10(12)14-9/h2-5H,1H3,(H,13,14)
InChIKeyRCXHTORRPNYTML-UHFFFAOYSA-N
MW316.00 g/mol
LogP3.91
Rot. Bonds1

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

2-bromo-5-(3-bromo-4-methylphenyl)-1H-imidazole (PubChem CID 91361676) has the molecular formula C10H8Br2N2 and a molecular weight of 316.00 g/mol. Its IUPAC name is 2-bromo-5-(3-bromo-4-methylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-bromo-5-(3-bromo-4-methylphenyl)-1H-imidazole
PubChem CID91361676
Molecular FormulaC10H8Br2N2
Molecular Weight316.00 g/mol
Exact Mass313.91
IUPAC Name2-bromo-5-(3-bromo-4-methylphenyl)-1H-imidazole
SMILESCc1ccc(-c2cnc(Br)[nH]2)cc1Br
InChIInChI=1S/C10H8Br2N2/c1-6-2-3-7(4-8(6)11)9-5-13-10(12)14-9/h2-5H,1H3,(H,13,14)
InChIKeyRCXHTORRPNYTML-UHFFFAOYSA-N
XLogP3.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.00
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-bromo-4-methylphenyl)-1H-imidazole?
The IUPAC name of 2-bromo-5-(3-bromo-4-methylphenyl)-1H-imidazole (CID 91361676) is 2-bromo-5-(3-bromo-4-methylphenyl)-1H-imidazole.
What is the SMILES notation for 2-bromo-5-(3-bromo-4-methylphenyl)-1H-imidazole?
The canonical SMILES for 2-bromo-5-(3-bromo-4-methylphenyl)-1H-imidazole is Cc1ccc(-c2cnc(Br)[nH]2)cc1Br.
What is the InChIKey of 2-bromo-5-(3-bromo-4-methylphenyl)-1H-imidazole?
The InChIKey is RCXHTORRPNYTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2/c1-6-2-3-7(4-8(6)11)9-5-13-10(12)14-9/h2-5H,1H3,(H,13,14).
What are the key properties of 2-bromo-5-(3-bromo-4-methylphenyl)-1H-imidazole?
2-bromo-5-(3-bromo-4-methylphenyl)-1H-imidazole has a molecular weight of 316.00 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-bromo-4-methylphenyl)-1H-imidazole is sourced from PubChem (CID 91361676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).