4-(2,4-difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-methyl-4-phenylimidazole)

C57H53F4Ir5N10O2-5 — CID 160977019

About 4-(2,4-difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-methyl-4-phenylimidazole)

4-(2,4-difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-methyl-4-phenylimidazole) (PubChem CID 160977019) has the molecular formula C57H53F4Ir5N10O2-5 and a molecular weight of 1947.20 g/mol. Its IUPAC name is 4-(2,4-difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-methyl-4-phenylimidazole).

Molecular Properties

• Compound Name: 4-(2,4-difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-methyl-4-phenylimidazole)
• PubChem CID: 160977019
• Molecular Formula: C57H53F4Ir5N10O2-5
• Molecular Weight: 1947.20 g/mol
• Exact Mass: 1950.25
• IUPAC Name: 4-(2,4-difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-methyl-4-phenylimidazole)
• SMILES: CC(=O)C=C(C)O.Cc1c(-c2[c-]cc(F)cc2F)ncn1C.Cc1c(-c2[c-]cccc2)ncn1C.Cn1cnc(-c2[c-]cc(F)cc2F)c1.Cn1cnc(-c2[c-]cccc2)c1.Cn1cnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C11H9F2N2.C11H11N2.C10H7F2N2.2C10H9N2.C5H8O2.5Ir/c1-7-11(14-6-15(7)2)9-4-3-8(12)5-10(9)13;1-9-11(12-8-13(9)2)10-6-4-3-5-7-10;1-14-5-10(13-6-14)8-3-2-7(11)4-9(8)12;2*1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-4(6)3-5(2)7;;;;;/h3,5-6H,1-2H3;3-6,8H,1-2H3;2,4-6H,1H3;2*2-5,7-8H,1H3;3,6H,1-2H3;;;;;/q5*-1
• InChIKey: USHZOWKDCNPEQO-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 126.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1947.20
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-methyl-4-phenylimidazole)?

The IUPAC name of 4-(2,4-difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-methyl-4-phenylimidazole) (CID 160977019) is 4-(2,4-difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-methyl-4-phenylimidazole).

What is the SMILES notation for 4-(2,4-difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-methyl-4-phenylimidazole)?

The canonical SMILES for 4-(2,4-difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-methyl-4-phenylimidazole) is CC(=O)C=C(C)O.Cc1c(-c2[c-]cc(F)cc2F)ncn1C.Cc1c(-c2[c-]cccc2)ncn1C.Cn1cnc(-c2[c-]cc(F)cc2F)c1.Cn1cnc(-c2[c-]cccc2)c1.Cn1cnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 4-(2,4-difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-methyl-4-phenylimidazole)?

The InChIKey is USHZOWKDCNPEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N2.C11H11N2.C10H7F2N2.2C10H9N2.C5H8O2.5Ir/c1-7-11(14-6-15(7)2)9-4-3-8(12)5-10(9)13;1-9-11(12-8-13(9)2)10-6-4-3-5-7-10;1-14-5-10(13-6-14)8-3-2-7(11)4-9(8)12;2*1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-4(6)3-5(2)7;;;;;/h3,5-6H,1-2H3;3-6,8H,1-2H3;2,4-6H,1H3;2*2-5,7-8H,1H3;3,6H,1-2H3;;;;;/q5*-1;;;;;;.

What are the key properties of 4-(2,4-difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-methyl-4-phenylimidazole)?

4-(2,4-difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-methyl-4-phenylimidazole) has a molecular weight of 1947.20 g/mol, XLogP of 11.63, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-methyl-4-phenylimidazole) is sourced from PubChem (CID 160977019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).