2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole

C32H20Br2N4S2 — CID 135424424

IUPAC2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
SMILESBrc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(Br)s5)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)s1
InChIInChI=1S/C32H20Br2N4S2/c33-25-17-15-23(39-25)31-35-27(19-7-3-1-4-8-19)29(37-31)21-11-13-22(14-12-21)30-28(20-9-5-2-6-10-20)36-32(38-30)24-16-18-26(34)40-24/h1-18H,(H,35,37)(H,36,38)
InChIKeyHAGQZCUVTIQRSI-UHFFFAOYSA-N
MW684.48 g/mol
LogP10.78
Rot. Bonds6

About 2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole

2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole (PubChem CID 135424424) has the molecular formula C32H20Br2N4S2 and a molecular weight of 684.48 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
PubChem CID135424424
Molecular FormulaC32H20Br2N4S2
Molecular Weight684.48 g/mol
Exact Mass681.95
IUPAC Name2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
SMILESBrc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(Br)s5)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)s1
InChIInChI=1S/C32H20Br2N4S2/c33-25-17-15-23(39-25)31-35-27(19-7-3-1-4-8-19)29(37-31)21-11-13-22(14-12-21)30-28(20-9-5-2-6-10-20)36-32(38-30)24-16-18-26(34)40-24/h1-18H,(H,35,37)(H,36,38)
InChIKeyHAGQZCUVTIQRSI-UHFFFAOYSA-N
XLogP10.78
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.48
LogP ≤ 510.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole (CID 135424424) is 2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole is Brc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(Br)s5)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole?
The InChIKey is HAGQZCUVTIQRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20Br2N4S2/c33-25-17-15-23(39-25)31-35-27(19-7-3-1-4-8-19)29(37-31)21-11-13-22(14-12-21)30-28(20-9-5-2-6-10-20)36-32(38-30)24-16-18-26(34)40-24/h1-18H,(H,35,37)(H,36,38).
What are the key properties of 2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole?
2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole has a molecular weight of 684.48 g/mol, XLogP of 10.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole is sourced from PubChem (CID 135424424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).