2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole

C60H63FIr5N11O5-5 — CID 158689945

IUPAC2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole
SMILESCC(=O)C=C(C)O.CN(C)c1c[c-]c(-c2nccn2C)cc1.COc1c[c-]c(-c2nccn2C)c(OC)c1.COc1cnc(-c2[c-]cccc2)n1C.Cn1c(F)cnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C12H14N3.C12H13N2O2.C11H11N2O.C10H8FN2.C10H9N2.C5H8O2.5Ir/c1-14(2)11-6-4-10(5-7-11)12-13-8-9-15(12)3;1-14-7-6-13-12(14)10-5-4-9(15-2)8-11(10)16-3;1-13-10(14-2)8-12-11(13)9-6-4-3-5-7-9;1-13-9(11)7-12-10(13)8-5-3-2-4-6-8;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(6)3-5(2)7;;;;;/h4,6-9H,1-3H3;4,6-8H,1-3H3;3-6,8H,1-2H3;2-5,7H,1H3;2-5,7-8H,1H3;3,6H,1-2H3;;;;;/q5*-1;;;;;;
InChIKeyJFZIODOMPSAVGQ-UHFFFAOYSA-N
MW1998.32 g/mol
LogP10.69
Rot. Bonds10

About 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole

2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole (PubChem CID 158689945) has the molecular formula C60H63FIr5N11O5-5 and a molecular weight of 1998.32 g/mol. Its IUPAC name is 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole.

Molecular Properties

Compound Name2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole
PubChem CID158689945
Molecular FormulaC60H63FIr5N11O5-5
Molecular Weight1998.32 g/mol
Exact Mass2001.32
IUPAC Name2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole
SMILESCC(=O)C=C(C)O.CN(C)c1c[c-]c(-c2nccn2C)cc1.COc1c[c-]c(-c2nccn2C)c(OC)c1.COc1cnc(-c2[c-]cccc2)n1C.Cn1c(F)cnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C12H14N3.C12H13N2O2.C11H11N2O.C10H8FN2.C10H9N2.C5H8O2.5Ir/c1-14(2)11-6-4-10(5-7-11)12-13-8-9-15(12)3;1-14-7-6-13-12(14)10-5-4-9(15-2)8-11(10)16-3;1-13-10(14-2)8-12-11(13)9-6-4-3-5-7-9;1-13-9(11)7-12-10(13)8-5-3-2-4-6-8;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(6)3-5(2)7;;;;;/h4,6-9H,1-3H3;4,6-8H,1-3H3;3-6,8H,1-2H3;2-5,7H,1H3;2-5,7-8H,1H3;3,6H,1-2H3;;;;;/q5*-1;;;;;;
InChIKeyJFZIODOMPSAVGQ-UHFFFAOYSA-N
XLogP10.69
TPSA157.33 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001998.32
LogP ≤ 510.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

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'}

Analyze 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole with MolForge

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Related Compounds

2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;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-1-methyl-2-phenylimidazole
CID 159883381
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
2-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-2-phenylimidazole;5-fluoro-1-methyl-2-phenylimidazole;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;2-(2-phenylimidazol-1-yl)-1,3,4-oxadiazole
CID 162252759

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole?
The IUPAC name of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole (CID 158689945) is 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole.
What is the SMILES notation for 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole?
The canonical SMILES for 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole is CC(=O)C=C(C)O.CN(C)c1c[c-]c(-c2nccn2C)cc1.COc1c[c-]c(-c2nccn2C)c(OC)c1.COc1cnc(-c2[c-]cccc2)n1C.Cn1c(F)cnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole?
The InChIKey is JFZIODOMPSAVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N3.C12H13N2O2.C11H11N2O.C10H8FN2.C10H9N2.C5H8O2.5Ir/c1-14(2)11-6-4-10(5-7-11)12-13-8-9-15(12)3;1-14-7-6-13-12(14)10-5-4-9(15-2)8-11(10)16-3;1-13-10(14-2)8-12-11(13)9-6-4-3-5-7-9;1-13-9(11)7-12-10(13)8-5-3-2-4-6-8;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(6)3-5(2)7;;;;;/h4,6-9H,1-3H3;4,6-8H,1-3H3;3-6,8H,1-2H3;2-5,7H,1H3;2-5,7-8H,1H3;3,6H,1-2H3;;;;;/q5*-1;;;;;;.
What are the key properties of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole?
2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole has a molecular weight of 1998.32 g/mol, XLogP of 10.69, 10 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;5-fluoro-1-methyl-2-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);5-methoxy-1-methyl-2-phenylimidazole;1-methyl-2-phenylimidazole is sourced from PubChem (CID 158689945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).