2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole

C12H8Br2N4 — CID 125475669

IUPAC2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole
SMILESBrc1ccc(-c2ncc[nH]2)c(-c2ncc[nH]2)c1Br
InChIInChI=1S/C12H8Br2N4/c13-8-2-1-7(11-15-3-4-16-11)9(10(8)14)12-17-5-6-18-12/h1-6H,(H,15,16)(H,17,18)
InChIKeyMDIVRRUQJGKBEV-UHFFFAOYSA-N
MW368.03 g/mol
LogP3.99
Rot. Bonds2

About 2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole

2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole (PubChem CID 125475669) has the molecular formula C12H8Br2N4 and a molecular weight of 368.03 g/mol. Its IUPAC name is 2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole
PubChem CID125475669
Molecular FormulaC12H8Br2N4
Molecular Weight368.03 g/mol
Exact Mass365.91
IUPAC Name2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole
SMILESBrc1ccc(-c2ncc[nH]2)c(-c2ncc[nH]2)c1Br
InChIInChI=1S/C12H8Br2N4/c13-8-2-1-7(11-15-3-4-16-11)9(10(8)14)12-17-5-6-18-12/h1-6H,(H,15,16)(H,17,18)
InChIKeyMDIVRRUQJGKBEV-UHFFFAOYSA-N
XLogP3.99
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.03
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole?
The IUPAC name of 2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole (CID 125475669) is 2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole.
What is the SMILES notation for 2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole?
The canonical SMILES for 2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole is Brc1ccc(-c2ncc[nH]2)c(-c2ncc[nH]2)c1Br.
What is the InChIKey of 2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole?
The InChIKey is MDIVRRUQJGKBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N4/c13-8-2-1-7(11-15-3-4-16-11)9(10(8)14)12-17-5-6-18-12/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole?
2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole has a molecular weight of 368.03 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole is sourced from PubChem (CID 125475669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).