5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole

C18H13BrN4 — CID 129022824

IUPAC5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole
SMILESBrc1[nH]cnc1-c1ccc(-c2ccc(-c3cnc[nH]3)cc2)cc1
InChIInChI=1S/C18H13BrN4/c19-18-17(22-11-23-18)15-7-3-13(4-8-15)12-1-5-14(6-2-12)16-9-20-10-21-16/h1-11H,(H,20,21)(H,22,23)
InChIKeyKKUDGWJDDAGJMT-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.90
Rot. Bonds3

About 5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole

5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole (PubChem CID 129022824) has the molecular formula C18H13BrN4 and a molecular weight of 365.23 g/mol. Its IUPAC name is 5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole
PubChem CID129022824
Molecular FormulaC18H13BrN4
Molecular Weight365.23 g/mol
Exact Mass364.03
IUPAC Name5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole
SMILESBrc1[nH]cnc1-c1ccc(-c2ccc(-c3cnc[nH]3)cc2)cc1
InChIInChI=1S/C18H13BrN4/c19-18-17(22-11-23-18)15-7-3-13(4-8-15)12-1-5-14(6-2-12)16-9-20-10-21-16/h1-11H,(H,20,21)(H,22,23)
InChIKeyKKUDGWJDDAGJMT-UHFFFAOYSA-N
XLogP4.90
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole?
The IUPAC name of 5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole (CID 129022824) is 5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole.
What is the SMILES notation for 5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole?
The canonical SMILES for 5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole is Brc1[nH]cnc1-c1ccc(-c2ccc(-c3cnc[nH]3)cc2)cc1.
What is the InChIKey of 5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole?
The InChIKey is KKUDGWJDDAGJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4/c19-18-17(22-11-23-18)15-7-3-13(4-8-15)12-1-5-14(6-2-12)16-9-20-10-21-16/h1-11H,(H,20,21)(H,22,23).
What are the key properties of 5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole?
5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole has a molecular weight of 365.23 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole is sourced from PubChem (CID 129022824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).