iridium;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide

C16H17IrN4O- — CID 58947201

IUPACiridium;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide
SMILESCOc1cc(C)c(-n2ccnc2-c2[c-]n(C)cn2)c(C)c1.[Ir]
InChIInChI=1S/C16H17N4O.Ir/c1-11-7-13(21-4)8-12(2)15(11)20-6-5-17-16(20)14-9-19(3)10-18-14;/h5-8,10H,1-4H3;/q-1;
InChIKeyOWRMPTXRIDUMMY-UHFFFAOYSA-N
MW473.56 g/mol
LogP2.70
Rot. Bonds3

About iridium;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide

iridium;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide (PubChem CID 58947201) has the molecular formula C16H17IrN4O- and a molecular weight of 473.56 g/mol. Its IUPAC name is iridium;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide.

Molecular Properties

Compound Nameiridium;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide
PubChem CID58947201
Molecular FormulaC16H17IrN4O-
Molecular Weight473.56 g/mol
Exact Mass474.10
IUPAC Nameiridium;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide
SMILESCOc1cc(C)c(-n2ccnc2-c2[c-]n(C)cn2)c(C)c1.[Ir]
InChIInChI=1S/C16H17N4O.Ir/c1-11-7-13(21-4)8-12(2)15(11)20-6-5-17-16(20)14-9-19(3)10-18-14;/h5-8,10H,1-4H3;/q-1;
InChIKeyOWRMPTXRIDUMMY-UHFFFAOYSA-N
XLogP2.70
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium
CID 58947249
2-(3-bromo-4-methoxybenzene-6-id-1-yl)-1-(2,6-dimethylphenyl)imidazole;iridium
CID 58947306
1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium
CID 58750753
2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole
CID 140703360
2H-Imidazol-2-ylidene, 1,3-dihydro-1,3-bis(4-methoxy-2,6-dimethylphenyl)-4,5-dimethyl-
CID 162419357
1-(4-methoxy-2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium
CID 58113536
4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole
CID 67115835
iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole
CID 58947288
lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate
CID 102492610
7-methoxy-5-methylimidazo[1,2-a]pyridine
CID 130064831
1-(2,6-dimethylphenyl)-2-phenylimidazole;platinum
CID 58162919
5-methoxy-1,7-dimethylindole-2-carbaldehyde
CID 105455211

Frequently Asked Questions

What is the IUPAC name of iridium;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide?
The IUPAC name of iridium;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide (CID 58947201) is iridium;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide.
What is the SMILES notation for iridium;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide?
The canonical SMILES for iridium;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide is COc1cc(C)c(-n2ccnc2-c2[c-]n(C)cn2)c(C)c1.[Ir].
What is the InChIKey of iridium;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide?
The InChIKey is OWRMPTXRIDUMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N4O.Ir/c1-11-7-13(21-4)8-12(2)15(11)20-6-5-17-16(20)14-9-19(3)10-18-14;/h5-8,10H,1-4H3;/q-1;.
What are the key properties of iridium;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide?
iridium;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide has a molecular weight of 473.56 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3-methyl-4H-imidazol-4-ide is sourced from PubChem (CID 58947201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).