5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide

C113H91Ir5N20O4-5 — CID 157411155

IUPAC5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide
SMILESCC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]nc2ocnc2n1.Cc1cc(-c2ccccc2)cc(C)c1-n1c(C)cnc1-c1[c-]cc2c(c1)ncn2C.Cc1cc(C)c(-n2ccnc2-c2[c-]nc3ocnc3c2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ocnc2cc1-c1nc2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C32H20N3O.C26H23N4.C20H20N5O.C18H15N4O.C17H13N4O.5Ir/c1-3-10-22(11-4-1)25-14-9-15-26(23-12-5-2-6-13-23)31(25)35-29-17-8-7-16-27(29)34-32(35)24-18-19-30-28(20-24)33-21-36-30;1-17-12-22(20-8-6-5-7-9-20)13-18(2)25(17)30-19(3)15-27-26(30)21-10-11-24-23(14-21)28-16-29(24)4;1-12(2)14-6-5-7-15(13(3)4)17(14)25-9-8-21-19(25)16-10-22-20-18(24-16)23-11-26-20;1-11-6-12(2)16(13(3)7-11)22-5-4-19-17(22)14-8-15-18(20-9-14)23-10-21-15;1-11-4-3-5-12(2)15(11)21-9-8-18-17(21)13-6-7-14-16(20-13)19-10-22-14;;;;;/h1-17,19-21H;5-9,11-16H,1-4H3;5-9,11-13H,1-4H3;4-8,10H,1-3H3;3-5,7-10H,1-2H3;;;;;/q5*-1;;;;;
InChIKeyAZEMDOAOPKRCDJ-UHFFFAOYSA-N
MW2754.19 g/mol
LogP25.58
Rot. Bonds15

About 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide

5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide (PubChem CID 157411155) has the molecular formula C113H91Ir5N20O4-5 and a molecular weight of 2754.19 g/mol. Its IUPAC name is 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide.

Molecular Properties

Compound Name5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide
PubChem CID157411155
Molecular FormulaC113H91Ir5N20O4-5
Molecular Weight2754.19 g/mol
Exact Mass2756.57
IUPAC Name5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide
SMILESCC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]nc2ocnc2n1.Cc1cc(-c2ccccc2)cc(C)c1-n1c(C)cnc1-c1[c-]cc2c(c1)ncn2C.Cc1cc(C)c(-n2ccnc2-c2[c-]nc3ocnc3c2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ocnc2cc1-c1nc2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C32H20N3O.C26H23N4.C20H20N5O.C18H15N4O.C17H13N4O.5Ir/c1-3-10-22(11-4-1)25-14-9-15-26(23-12-5-2-6-13-23)31(25)35-29-17-8-7-16-27(29)34-32(35)24-18-19-30-28(20-24)33-21-36-30;1-17-12-22(20-8-6-5-7-9-20)13-18(2)25(17)30-19(3)15-27-26(30)21-10-11-24-23(14-21)28-16-29(24)4;1-12(2)14-6-5-7-15(13(3)4)17(14)25-9-8-21-19(25)16-10-22-20-18(24-16)23-11-26-20;1-11-6-12(2)16(13(3)7-11)22-5-4-19-17(22)14-8-15-18(20-9-14)23-10-21-15;1-11-4-3-5-12(2)15(11)21-9-8-18-17(21)13-6-7-14-16(20-13)19-10-22-14;;;;;/h1-17,19-21H;5-9,11-16H,1-4H3;5-9,11-13H,1-4H3;4-8,10H,1-3H3;3-5,7-10H,1-2H3;;;;;/q5*-1;;;;;
InChIKeyAZEMDOAOPKRCDJ-UHFFFAOYSA-N
XLogP25.58
TPSA262.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002754.19
LogP ≤ 525.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide?
The IUPAC name of 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide (CID 157411155) is 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide.
What is the SMILES notation for 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide?
The canonical SMILES for 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]nc2ocnc2n1.Cc1cc(-c2ccccc2)cc(C)c1-n1c(C)cnc1-c1[c-]cc2c(c1)ncn2C.Cc1cc(C)c(-n2ccnc2-c2[c-]nc3ocnc3c2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ocnc2cc1-c1nc2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide?
The InChIKey is AZEMDOAOPKRCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N3O.C26H23N4.C20H20N5O.C18H15N4O.C17H13N4O.5Ir/c1-3-10-22(11-4-1)25-14-9-15-26(23-12-5-2-6-13-23)31(25)35-29-17-8-7-16-27(29)34-32(35)24-18-19-30-28(20-24)33-21-36-30;1-17-12-22(20-8-6-5-7-9-20)13-18(2)25(17)30-19(3)15-27-26(30)21-10-11-24-23(14-21)28-16-29(24)4;1-12(2)14-6-5-7-15(13(3)4)17(14)25-9-8-21-19(25)16-10-22-20-18(24-16)23-11-26-20;1-11-6-12(2)16(13(3)7-11)22-5-4-19-17(22)14-8-15-18(20-9-14)23-10-21-15;1-11-4-3-5-12(2)15(11)21-9-8-18-17(21)13-6-7-14-16(20-13)19-10-22-14;;;;;/h1-17,19-21H;5-9,11-16H,1-4H3;5-9,11-13H,1-4H3;4-8,10H,1-3H3;3-5,7-10H,1-2H3;;;;;/q5*-1;;;;;.
What are the key properties of 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide?
5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide has a molecular weight of 2754.19 g/mol, XLogP of 25.58, 15 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;6-[1-(2,6-dimethyl-4-phenylphenyl)-5-methylimidazol-2-yl]-3-methyl-5H-benzimidazol-5-ide;5-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-[1,3]oxazolo[4,5-b]pyrazin-6-ide;pentakis(iridium);6-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide is sourced from PubChem (CID 157411155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).