5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium)

C81H80F4Ir5N11-5 — CID 158879404

IUPAC5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium)
SMILESCC(C)(C)c1c[c-]n(-c2ccccn2)n1.Cc1cc[c-]c(-c2ncc(C(C)(C)C)n2-c2ccccc2)c1.Cc1cccc(C)c1-c1cnc(-c2[c-]cc(C(F)(F)F)cc2)n1C.Cc1cnc(-c2[c-]cccc2)n1C1CCCCC1.Cn1c(-c2[c-]cc(F)cc2)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C20H21N2.C19H16F3N2.C16H19N2.C14H10FN2.C12H14N3.5Ir/c1-15-9-8-10-16(13-15)19-21-14-18(20(2,3)4)22(19)17-11-6-5-7-12-17;1-12-5-4-6-13(2)17(12)16-11-23-18(24(16)3)14-7-9-15(10-8-14)19(20,21)22;1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10;1-12(2,3)10-7-9-15(14-10)11-6-4-5-8-13-11;;;;;/h5-9,11-14H,1-4H3;4-7,9-11H,1-3H3;2,4-5,8,12,15H,3,6-7,10-11H2,1H3;2-6,8-9H,1H3;4-8H,1-3H3;;;;;/q5*-1;;;;;
InChIKeyBHPPZGCEOXHVNQ-UHFFFAOYSA-N
MW2244.68 g/mol
LogP19.83
Rot. Bonds8

About 5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium)

5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium) (PubChem CID 158879404) has the molecular formula C81H80F4Ir5N11-5 and a molecular weight of 2244.68 g/mol. Its IUPAC name is 5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium).

Molecular Properties

Compound Name5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium)
PubChem CID158879404
Molecular FormulaC81H80F4Ir5N11-5
Molecular Weight2244.68 g/mol
Exact Mass2247.47
IUPAC Name5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium)
SMILESCC(C)(C)c1c[c-]n(-c2ccccn2)n1.Cc1cc[c-]c(-c2ncc(C(C)(C)C)n2-c2ccccc2)c1.Cc1cccc(C)c1-c1cnc(-c2[c-]cc(C(F)(F)F)cc2)n1C.Cc1cnc(-c2[c-]cccc2)n1C1CCCCC1.Cn1c(-c2[c-]cc(F)cc2)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C20H21N2.C19H16F3N2.C16H19N2.C14H10FN2.C12H14N3.5Ir/c1-15-9-8-10-16(13-15)19-21-14-18(20(2,3)4)22(19)17-11-6-5-7-12-17;1-12-5-4-6-13(2)17(12)16-11-23-18(24(16)3)14-7-9-15(10-8-14)19(20,21)22;1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10;1-12(2,3)10-7-9-15(14-10)11-6-4-5-8-13-11;;;;;/h5-9,11-14H,1-4H3;4-7,9-11H,1-3H3;2,4-5,8,12,15H,3,6-7,10-11H2,1H3;2-6,8-9H,1H3;4-8H,1-3H3;;;;;/q5*-1;;;;;
InChIKeyBHPPZGCEOXHVNQ-UHFFFAOYSA-N
XLogP19.83
TPSA101.99 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms101
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002244.68
LogP ≤ 519.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium)?
The IUPAC name of 5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium) (CID 158879404) is 5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium).
What is the SMILES notation for 5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium)?
The canonical SMILES for 5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium) is CC(C)(C)c1c[c-]n(-c2ccccn2)n1.Cc1cc[c-]c(-c2ncc(C(C)(C)C)n2-c2ccccc2)c1.Cc1cccc(C)c1-c1cnc(-c2[c-]cc(C(F)(F)F)cc2)n1C.Cc1cnc(-c2[c-]cccc2)n1C1CCCCC1.Cn1c(-c2[c-]cc(F)cc2)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium)?
The InChIKey is BHPPZGCEOXHVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N2.C19H16F3N2.C16H19N2.C14H10FN2.C12H14N3.5Ir/c1-15-9-8-10-16(13-15)19-21-14-18(20(2,3)4)22(19)17-11-6-5-7-12-17;1-12-5-4-6-13(2)17(12)16-11-23-18(24(16)3)14-7-9-15(10-8-14)19(20,21)22;1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10;1-12(2,3)10-7-9-15(14-10)11-6-4-5-8-13-11;;;;;/h5-9,11-14H,1-4H3;4-7,9-11H,1-3H3;2,4-5,8,12,15H,3,6-7,10-11H2,1H3;2-6,8-9H,1H3;4-8H,1-3H3;;;;;/q5*-1;;;;;.
What are the key properties of 5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium)?
5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium) has a molecular weight of 2244.68 g/mol, XLogP of 19.83, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(3-methylbenzene-6-id-1-yl)-1-phenylimidazole;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;1-cyclohexyl-5-methyl-2-phenylimidazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;pentakis(iridium) is sourced from PubChem (CID 158879404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).