2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole

C30H22BrN3 — CID 3509542

IUPAC2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole
SMILESCc1ccc(-n2c(-c3ccc(Br)cc3)cn3c(-c4ccccc4)c(-c4ccccc4)nc23)cc1
InChIInChI=1S/C30H22BrN3/c1-21-12-18-26(19-13-21)34-27(22-14-16-25(31)17-15-22)20-33-29(24-10-6-3-7-11-24)28(32-30(33)34)23-8-4-2-5-9-23/h2-20H,1H3
InChIKeySXGLYKSALQWTDI-UHFFFAOYSA-N
MW504.43 g/mol
LogP8.20
Rot. Bonds4

About 2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole

2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole (PubChem CID 3509542) has the molecular formula C30H22BrN3 and a molecular weight of 504.43 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole
PubChem CID3509542
Molecular FormulaC30H22BrN3
Molecular Weight504.43 g/mol
Exact Mass503.10
IUPAC Name2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole
SMILESCc1ccc(-n2c(-c3ccc(Br)cc3)cn3c(-c4ccccc4)c(-c4ccccc4)nc23)cc1
InChIInChI=1S/C30H22BrN3/c1-21-12-18-26(19-13-21)34-27(22-14-16-25(31)17-15-22)20-33-29(24-10-6-3-7-11-24)28(32-30(33)34)23-8-4-2-5-9-23/h2-20H,1H3
InChIKeySXGLYKSALQWTDI-UHFFFAOYSA-N
XLogP8.20
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.43
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2,4,5-triphenylimidazole
CID 71122850
9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole
CID 161395332
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole
CID 122207157
1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole
CID 90139024
2-(4-bromophenyl)-4-(4-methylphenyl)-6-phenylpyridine
CID 141475608
3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole
CID 2311113
methyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate
CID 102223701
2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole
CID 11825610
9-[4-[4-(4-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142751576
2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole
CID 4311842
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole?
The IUPAC name of 2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole (CID 3509542) is 2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole is Cc1ccc(-n2c(-c3ccc(Br)cc3)cn3c(-c4ccccc4)c(-c4ccccc4)nc23)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole?
The InChIKey is SXGLYKSALQWTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22BrN3/c1-21-12-18-26(19-13-21)34-27(22-14-16-25(31)17-15-22)20-33-29(24-10-6-3-7-11-24)28(32-30(33)34)23-8-4-2-5-9-23/h2-20H,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole?
2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole has a molecular weight of 504.43 g/mol, XLogP of 8.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole is sourced from PubChem (CID 3509542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).