5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;1-(2,6-dimethyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;bis(3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide

C174H139FIr4N24O4-8 — CID 157153116

About 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;1-(2,6-dimethyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;bis(3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide

5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;1-(2,6-dimethyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;bis(3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide (PubChem CID 157153116) has the molecular formula C174H139FIr4N24O4-8 and a molecular weight of 3418.06 g/mol. Its IUPAC name is 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;1-(2,6-dimethyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;bis(3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide.

Molecular Properties

• Compound Name: 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;1-(2,6-dimethyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;bis(3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide
• PubChem CID: 157153116
• Molecular Formula: C174H139FIr4N24O4-8
• Molecular Weight: 3418.06 g/mol
• Exact Mass: 3419.00
• IUPAC Name: 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;1-(2,6-dimethyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;bis(3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide
• SMILES: Cc1cc(-c2ccccc2)cc(C)c1-n1ccnc1-c1[c-]cc(F)cc1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3oc(C)nc3c2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1cnc(-c2[c-]cccc2)c1.Cc1nc2cc(-c3nccn3-c3c(C(C)C)cccc3C(C)C)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2o1.N#Cc1cc[c-]c(-c2nncn2-c2c(-c3ccccc3)cccc2-c2ccccc2)c1.N#Cc1cc[c-]c(-c2nncn2-c2c(-c3ccccc3)cccc2-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C27H17N4.C23H18FN2.C23H24N3O.C20H18N3O.C19H16N3O.C18H14N3O.C17H15N2.4Ir/c2*28-18-20-9-7-14-23(17-20)27-30-29-19-31(27)26-24(21-10-3-1-4-11-21)15-8-16-25(26)22-12-5-2-6-13-22;1-16-14-20(18-6-4-3-5-7-18)15-17(2)22(16)26-13-12-25-23(26)19-8-10-21(24)11-9-19;1-14(2)18-7-6-8-19(15(3)4)22(18)26-12-11-24-23(26)17-9-10-21-20(13-17)25-16(5)27-21;1-12-9-13(2)19(14(3)10-12)23-8-7-21-20(23)16-5-6-18-17(11-16)22-15(4)24-18;1-12-5-4-6-13(2)18(12)22-10-9-20-19(22)15-7-8-17-16(11-15)21-14(3)23-17;1-12-4-3-5-13(2)17(12)21-9-8-19-18(21)14-6-7-16-15(10-14)20-11-22-16;1-13-7-6-8-14(2)17(13)19-11-16(18-12-19)15-9-4-3-5-10-15;;;;/h2*1-13,15-17,19H;3-8,10-15H,1-2H3;6-8,10-15H,1-5H3;6-11H,1-4H3;4-6,8-11H,1-3H3;3-5,7-11H,1-2H3;3-9,11-12H,1-2H3;;;;/q8*-1
• InChIKey: ZOJAAIBBTYUGHD-UHFFFAOYSA-N
• XLogP: 40.84
• TPSA: 320.04 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3418.06
LogP ≤ 5	40.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;1-(2,6-dimethyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;bis(3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide?

The IUPAC name of 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;1-(2,6-dimethyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;bis(3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide (CID 157153116) is 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;1-(2,6-dimethyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;bis(3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide.

What is the SMILES notation for 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;1-(2,6-dimethyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;bis(3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide?

The canonical SMILES for 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;1-(2,6-dimethyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;bis(3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide is Cc1cc(-c2ccccc2)cc(C)c1-n1ccnc1-c1[c-]cc(F)cc1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3oc(C)nc3c2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1cnc(-c2[c-]cccc2)c1.Cc1nc2cc(-c3nccn3-c3c(C(C)C)cccc3C(C)C)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2o1.N#Cc1cc[c-]c(-c2nncn2-c2c(-c3ccccc3)cccc2-c2ccccc2)c1.N#Cc1cc[c-]c(-c2nncn2-c2c(-c3ccccc3)cccc2-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;1-(2,6-dimethyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;bis(3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide?

The InChIKey is ZOJAAIBBTYUGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H17N4.C23H18FN2.C23H24N3O.C20H18N3O.C19H16N3O.C18H14N3O.C17H15N2.4Ir/c2*28-18-20-9-7-14-23(17-20)27-30-29-19-31(27)26-24(21-10-3-1-4-11-21)15-8-16-25(26)22-12-5-2-6-13-22;1-16-14-20(18-6-4-3-5-7-18)15-17(2)22(16)26-13-12-25-23(26)19-8-10-21(24)11-9-19;1-14(2)18-7-6-8-19(15(3)4)22(18)26-12-11-24-23(26)17-9-10-21-20(13-17)25-16(5)27-21;1-12-9-13(2)19(14(3)10-12)23-8-7-21-20(23)16-5-6-18-17(11-16)22-15(4)24-18;1-12-5-4-6-13(2)18(12)22-10-9-20-19(22)15-7-8-17-16(11-15)21-14(3)23-17;1-12-4-3-5-13(2)17(12)21-9-8-19-18(21)14-6-7-16-15(10-14)20-11-22-16;1-13-7-6-8-14(2)17(13)19-11-16(18-12-19)15-9-4-3-5-10-15;;;;/h2*1-13,15-17,19H;3-8,10-15H,1-2H3;6-8,10-15H,1-5H3;6-11H,1-4H3;4-6,8-11H,1-3H3;3-5,7-11H,1-2H3;3-9,11-12H,1-2H3;;;;/q8*-1;;;;.

What are the key properties of 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;1-(2,6-dimethyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;bis(3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide?

5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;1-(2,6-dimethyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;bis(3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide has a molecular weight of 3418.06 g/mol, XLogP of 40.84, 23 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;1-(2,6-dimethyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;bis(3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile);5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tetrakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide is sourced from PubChem (CID 157153116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).