1-(3,5-dibromo-4-methylphenyl)imidazole

C10H8Br2N2 — CID 67554928

IUPAC1-(3,5-dibromo-4-methylphenyl)imidazole
SMILESCc1c(Br)cc(-n2ccnc2)cc1Br
InChIInChI=1S/C10H8Br2N2/c1-7-9(11)4-8(5-10(7)12)14-3-2-13-6-14/h2-6H,1H3
InChIKeyZZNNGHDMLUTCPU-UHFFFAOYSA-N
MW316.00 g/mol
LogP3.71
Rot. Bonds1

About 1-(3,5-dibromo-4-methylphenyl)imidazole

1-(3,5-dibromo-4-methylphenyl)imidazole (PubChem CID 67554928) has the molecular formula C10H8Br2N2 and a molecular weight of 316.00 g/mol. Its IUPAC name is 1-(3,5-dibromo-4-methylphenyl)imidazole.

Molecular Properties

Compound Name1-(3,5-dibromo-4-methylphenyl)imidazole
PubChem CID67554928
Molecular FormulaC10H8Br2N2
Molecular Weight316.00 g/mol
Exact Mass313.91
IUPAC Name1-(3,5-dibromo-4-methylphenyl)imidazole
SMILESCc1c(Br)cc(-n2ccnc2)cc1Br
InChIInChI=1S/C10H8Br2N2/c1-7-9(11)4-8(5-10(7)12)14-3-2-13-6-14/h2-6H,1H3
InChIKeyZZNNGHDMLUTCPU-UHFFFAOYSA-N
XLogP3.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.00
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-4-methylphenyl)imidazole?
The IUPAC name of 1-(3,5-dibromo-4-methylphenyl)imidazole (CID 67554928) is 1-(3,5-dibromo-4-methylphenyl)imidazole.
What is the SMILES notation for 1-(3,5-dibromo-4-methylphenyl)imidazole?
The canonical SMILES for 1-(3,5-dibromo-4-methylphenyl)imidazole is Cc1c(Br)cc(-n2ccnc2)cc1Br.
What is the InChIKey of 1-(3,5-dibromo-4-methylphenyl)imidazole?
The InChIKey is ZZNNGHDMLUTCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2/c1-7-9(11)4-8(5-10(7)12)14-3-2-13-6-14/h2-6H,1H3.
What are the key properties of 1-(3,5-dibromo-4-methylphenyl)imidazole?
1-(3,5-dibromo-4-methylphenyl)imidazole has a molecular weight of 316.00 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-4-methylphenyl)imidazole is sourced from PubChem (CID 67554928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).