N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;1,5-dimethyl-2-phenylimidazole;5-fluoro-1-methyl-2-phenylimidazole;pentakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;(3-methyl-2-phenylimidazol-4-yl)methanol

C56H57FIr5N11O3-5 — CID 161124678

About N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;1,5-dimethyl-2-phenylimidazole;5-fluoro-1-methyl-2-phenylimidazole;pentakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;(3-methyl-2-phenylimidazol-4-yl)methanol

N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;1,5-dimethyl-2-phenylimidazole;5-fluoro-1-methyl-2-phenylimidazole;pentakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;(3-methyl-2-phenylimidazol-4-yl)methanol (PubChem CID 161124678) has the molecular formula C56H57FIr5N11O3-5 and a molecular weight of 1912.23 g/mol. Its IUPAC name is N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;1,5-dimethyl-2-phenylimidazole;5-fluoro-1-methyl-2-phenylimidazole;pentakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;(3-methyl-2-phenylimidazol-4-yl)methanol.

Molecular Properties

• Compound Name: N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;1,5-dimethyl-2-phenylimidazole;5-fluoro-1-methyl-2-phenylimidazole;pentakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;(3-methyl-2-phenylimidazol-4-yl)methanol
• PubChem CID: 161124678
• Molecular Formula: C56H57FIr5N11O3-5
• Molecular Weight: 1912.23 g/mol
• Exact Mass: 1915.28
• IUPAC Name: N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;1,5-dimethyl-2-phenylimidazole;5-fluoro-1-methyl-2-phenylimidazole;pentakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;(3-methyl-2-phenylimidazol-4-yl)methanol
• SMILES: CN(C)c1c[c-]c(-c2nccn2C)cc1.COc1c[c-]c(-c2nccn2C)c(CO)c1.Cc1cnc(-c2[c-]cccc2)n1C.Cn1c(CO)cnc1-c1[c-]cccc1.Cn1c(F)cnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C12H14N3.C12H13N2O2.C11H11N2O.C11H11N2.C10H8FN2.5Ir/c1-14(2)11-6-4-10(5-7-11)12-13-8-9-15(12)3;1-14-6-5-13-12(14)11-4-3-10(16-2)7-9(11)8-15;1-13-10(8-14)7-12-11(13)9-5-3-2-4-6-9;1-9-8-12-11(13(9)2)10-6-4-3-5-7-10;1-13-9(11)7-12-10(13)8-5-3-2-4-6-8;;;;;/h4,6-9H,1-3H3;3,5-7,15H,8H2,1-2H3;2-5,7,14H,8H2,1H3;3-6,8H,1-2H3;2-5,7H,1H3;;;;;/q5*-1
• InChIKey: DBLMCFNTWVIGPW-UHFFFAOYSA-N
• XLogP: 8.93
• TPSA: 142.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1912.23
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;1,5-dimethyl-2-phenylimidazole;5-fluoro-1-methyl-2-phenylimidazole;pentakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;(3-methyl-2-phenylimidazol-4-yl)methanol?

The IUPAC name of N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;1,5-dimethyl-2-phenylimidazole;5-fluoro-1-methyl-2-phenylimidazole;pentakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;(3-methyl-2-phenylimidazol-4-yl)methanol (CID 161124678) is N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;1,5-dimethyl-2-phenylimidazole;5-fluoro-1-methyl-2-phenylimidazole;pentakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;(3-methyl-2-phenylimidazol-4-yl)methanol.

What is the SMILES notation for N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;1,5-dimethyl-2-phenylimidazole;5-fluoro-1-methyl-2-phenylimidazole;pentakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;(3-methyl-2-phenylimidazol-4-yl)methanol?

The canonical SMILES for N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;1,5-dimethyl-2-phenylimidazole;5-fluoro-1-methyl-2-phenylimidazole;pentakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;(3-methyl-2-phenylimidazol-4-yl)methanol is CN(C)c1c[c-]c(-c2nccn2C)cc1.COc1c[c-]c(-c2nccn2C)c(CO)c1.Cc1cnc(-c2[c-]cccc2)n1C.Cn1c(CO)cnc1-c1[c-]cccc1.Cn1c(F)cnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;1,5-dimethyl-2-phenylimidazole;5-fluoro-1-methyl-2-phenylimidazole;pentakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;(3-methyl-2-phenylimidazol-4-yl)methanol?

The InChIKey is DBLMCFNTWVIGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N3.C12H13N2O2.C11H11N2O.C11H11N2.C10H8FN2.5Ir/c1-14(2)11-6-4-10(5-7-11)12-13-8-9-15(12)3;1-14-6-5-13-12(14)11-4-3-10(16-2)7-9(11)8-15;1-13-10(8-14)7-12-11(13)9-5-3-2-4-6-9;1-9-8-12-11(13(9)2)10-6-4-3-5-7-10;1-13-9(11)7-12-10(13)8-5-3-2-4-6-8;;;;;/h4,6-9H,1-3H3;3,5-7,15H,8H2,1-2H3;2-5,7,14H,8H2,1H3;3-6,8H,1-2H3;2-5,7H,1H3;;;;;/q5*-1;;;;;.

What are the key properties of N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;1,5-dimethyl-2-phenylimidazole;5-fluoro-1-methyl-2-phenylimidazole;pentakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;(3-methyl-2-phenylimidazol-4-yl)methanol?

N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;1,5-dimethyl-2-phenylimidazole;5-fluoro-1-methyl-2-phenylimidazole;pentakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;(3-methyl-2-phenylimidazol-4-yl)methanol has a molecular weight of 1912.23 g/mol, XLogP of 8.93, 9 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;1,5-dimethyl-2-phenylimidazole;5-fluoro-1-methyl-2-phenylimidazole;pentakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;(3-methyl-2-phenylimidazol-4-yl)methanol is sourced from PubChem (CID 161124678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).