3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-4-ide-1-carbonitrile;7-[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-benzothiazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzothiazol-6-ide;pentakis(iridium);5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-pyrimidin-4-ide

C181H157Ir5N29O3S2-10 — CID 159451106

About 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-4-ide-1-carbonitrile;7-[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-benzothiazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzothiazol-6-ide;pentakis(iridium);5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-pyrimidin-4-ide

3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-4-ide-1-carbonitrile;7-[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-benzothiazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzothiazol-6-ide;pentakis(iridium);5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-pyrimidin-4-ide (PubChem CID 159451106) has the molecular formula C181H157Ir5N29O3S2-10 and a molecular weight of 3811.67 g/mol. Its IUPAC name is 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-4-ide-1-carbonitrile;7-[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-benzothiazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzothiazol-6-ide;pentakis(iridium);5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-pyrimidin-4-ide.

Molecular Properties

• Compound Name: 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-4-ide-1-carbonitrile;7-[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-benzothiazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzothiazol-6-ide;pentakis(iridium);5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-pyrimidin-4-ide
• PubChem CID: 159451106
• Molecular Formula: C181H157Ir5N29O3S2-10
• Molecular Weight: 3811.67 g/mol
• Exact Mass: 3813.07
• IUPAC Name: 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-4-ide-1-carbonitrile;7-[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-benzothiazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzothiazol-6-ide;pentakis(iridium);5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-pyrimidin-4-ide
• SMILES: CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cc2scnc2c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ncnc2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc2ncoc12.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-n1cnc(-c2[c-]ccc(C#N)c2)c1.Cc1cccc(C)c1-n1cnc(-c2[c-]cccc2)c1.Cc1cccc(C)c1-n1cnc(-c2[c-]ccnc2)c1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2s1.Cc1nc2cc[c-]c(-c3nccn3-c3c(C)cccc3C)c2o1.Cc1nc2cc[c-]c(-c3nccn3-c3c(C)cccc3C)c2o1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C22H22N3S.2C19H16N3O.C19H16N3S.C18H14N3O.C18H14N3.2C17H15N2.C16H15N4.C16H14N3.5Ir/c1-14(2)17-6-5-7-18(15(3)4)21(17)25-11-10-23-22(25)16-8-9-20-19(12-16)24-13-26-20;2*1-12-6-4-7-13(2)17(12)22-11-10-20-19(22)15-8-5-9-16-18(15)23-14(3)21-16;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;1-12-5-3-6-13(2)16(12)21-10-9-19-18(21)14-7-4-8-15-17(14)22-11-20-15;1-13-5-3-6-14(2)18(13)21-11-17(20-12-21)16-8-4-7-15(9-16)10-19;1-13-7-6-8-14(2)17(13)19-11-16(18-12-19)15-9-4-3-5-10-15;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-11-6-12(2)15(13(3)7-11)20-5-4-19-16(20)14-8-17-10-18-9-14;1-12-5-3-6-13(2)16(12)19-10-15(18-11-19)14-7-4-8-17-9-14;;;;;/h5-7,9-15H,1-4H3;2*4-7,9-11H,1-3H3;4-6,8-11H,1-3H3;3-6,8-11H,1-2H3;3-7,9,11-12H,1-2H3;2*3-9,11-12H,1-2H3;4-8,10H,1-3H3;3-6,8-11H,1-2H3;;;;;/q10*-1
• InChIKey: XFJUMEQOVQLYMW-UHFFFAOYSA-N
• XLogP: 42.11
• TPSA: 344.53 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3811.67
LogP ≤ 5	42.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-4-ide-1-carbonitrile;7-[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-benzothiazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzothiazol-6-ide;pentakis(iridium);5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-pyrimidin-4-ide?

The IUPAC name of 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-4-ide-1-carbonitrile;7-[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-benzothiazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzothiazol-6-ide;pentakis(iridium);5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-pyrimidin-4-ide (CID 159451106) is 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-4-ide-1-carbonitrile;7-[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-benzothiazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzothiazol-6-ide;pentakis(iridium);5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-pyrimidin-4-ide.

What is the SMILES notation for 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-4-ide-1-carbonitrile;7-[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-benzothiazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzothiazol-6-ide;pentakis(iridium);5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-pyrimidin-4-ide?

The canonical SMILES for 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-4-ide-1-carbonitrile;7-[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-benzothiazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzothiazol-6-ide;pentakis(iridium);5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-pyrimidin-4-ide is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cc2scnc2c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ncnc2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc2ncoc12.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-n1cnc(-c2[c-]ccc(C#N)c2)c1.Cc1cccc(C)c1-n1cnc(-c2[c-]cccc2)c1.Cc1cccc(C)c1-n1cnc(-c2[c-]ccnc2)c1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2s1.Cc1nc2cc[c-]c(-c3nccn3-c3c(C)cccc3C)c2o1.Cc1nc2cc[c-]c(-c3nccn3-c3c(C)cccc3C)c2o1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-4-ide-1-carbonitrile;7-[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-benzothiazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzothiazol-6-ide;pentakis(iridium);5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-pyrimidin-4-ide?

The InChIKey is XFJUMEQOVQLYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N3S.2C19H16N3O.C19H16N3S.C18H14N3O.C18H14N3.2C17H15N2.C16H15N4.C16H14N3.5Ir/c1-14(2)17-6-5-7-18(15(3)4)21(17)25-11-10-23-22(25)16-8-9-20-19(12-16)24-13-26-20;2*1-12-6-4-7-13(2)17(12)22-11-10-20-19(22)15-8-5-9-16-18(15)23-14(3)21-16;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;1-12-5-3-6-13(2)16(12)21-10-9-19-18(21)14-7-4-8-15-17(14)22-11-20-15;1-13-5-3-6-14(2)18(13)21-11-17(20-12-21)16-8-4-7-15(9-16)10-19;1-13-7-6-8-14(2)17(13)19-11-16(18-12-19)15-9-4-3-5-10-15;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-11-6-12(2)15(13(3)7-11)20-5-4-19-16(20)14-8-17-10-18-9-14;1-12-5-3-6-13(2)16(12)19-10-15(18-11-19)14-7-4-8-17-9-14;;;;;/h5-7,9-15H,1-4H3;2*4-7,9-11H,1-3H3;4-6,8-11H,1-3H3;3-6,8-11H,1-2H3;3-7,9,11-12H,1-2H3;2*3-9,11-12H,1-2H3;4-8,10H,1-3H3;3-6,8-11H,1-2H3;;;;;/q10*-1;;;;;.

What are the key properties of 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-4-ide-1-carbonitrile;7-[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-benzothiazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzothiazol-6-ide;pentakis(iridium);5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-pyrimidin-4-ide?

3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-4-ide-1-carbonitrile;7-[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-benzothiazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzothiazol-6-ide;pentakis(iridium);5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-pyrimidin-4-ide has a molecular weight of 3811.67 g/mol, XLogP of 42.11, 22 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-4-ide-1-carbonitrile;7-[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-benzothiazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-(2,6-dimethylphenyl)-4-phenylimidazole;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzothiazol-6-ide;pentakis(iridium);5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-pyrimidin-4-ide is sourced from PubChem (CID 159451106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).