5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole

C12H8Br2N4 — CID 69362168

IUPAC5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole
SMILESBrc1ccc(-c2cnc(-c3ncc[nH]3)[nH]2)c(Br)c1
InChIInChI=1S/C12H8Br2N4/c13-7-1-2-8(9(14)5-7)10-6-17-12(18-10)11-15-3-4-16-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyOCSJQDVFGHZCAM-UHFFFAOYSA-N
MW368.03 g/mol
LogP3.99
Rot. Bonds2

About 5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole

5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole (PubChem CID 69362168) has the molecular formula C12H8Br2N4 and a molecular weight of 368.03 g/mol. Its IUPAC name is 5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole
PubChem CID69362168
Molecular FormulaC12H8Br2N4
Molecular Weight368.03 g/mol
Exact Mass365.91
IUPAC Name5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole
SMILESBrc1ccc(-c2cnc(-c3ncc[nH]3)[nH]2)c(Br)c1
InChIInChI=1S/C12H8Br2N4/c13-7-1-2-8(9(14)5-7)10-6-17-12(18-10)11-15-3-4-16-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyOCSJQDVFGHZCAM-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 5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole?
The IUPAC name of 5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole (CID 69362168) is 5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole.
What is the SMILES notation for 5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole?
The canonical SMILES for 5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole is Brc1ccc(-c2cnc(-c3ncc[nH]3)[nH]2)c(Br)c1.
What is the InChIKey of 5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole?
The InChIKey is OCSJQDVFGHZCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N4/c13-7-1-2-8(9(14)5-7)10-6-17-12(18-10)11-15-3-4-16-11/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole?
5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-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 5-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)-1H-imidazole is sourced from PubChem (CID 69362168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).