iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide

C22H20IrN6-4 — CID 58556382

IUPACiridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide
SMILESCN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2nccnc21.[Ir]
InChIInChI=1S/C12H10N4.C10H10N2.Ir/c1-15-9-16(10-5-3-2-4-6-10)12-11(15)13-7-8-14-12;1-11-7-8-12(9-11)10-5-3-2-4-6-10;/h2-5,7-9H,1H3;2-5,7-9H,1H3;/q2*-2;
InChIKeyQWDINEHBRDJQEK-UHFFFAOYSA-N
MW560.66 g/mol
LogP3.81
Rot. Bonds2

About iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide

iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide (PubChem CID 58556382) has the molecular formula C22H20IrN6-4 and a molecular weight of 560.66 g/mol. Its IUPAC name is iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide.

Molecular Properties

Compound Nameiridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide
PubChem CID58556382
Molecular FormulaC22H20IrN6-4
Molecular Weight560.66 g/mol
Exact Mass561.14
IUPAC Nameiridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide
SMILESCN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2nccnc21.[Ir]
InChIInChI=1S/C12H10N4.C10H10N2.Ir/c1-15-9-16(10-5-3-2-4-6-10)12-11(15)13-7-8-14-12;1-11-7-8-12(9-11)10-5-3-2-4-6-10;/h2-5,7-9H,1H3;2-5,7-9H,1H3;/q2*-2;
InChIKeyQWDINEHBRDJQEK-UHFFFAOYSA-N
XLogP3.81
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.66
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide
CID 58556318
iridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide
CID 58556408
1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;osmium
CID 60138744
CID 155622001
CID 155622001
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-[4-(3-phenyl-2H-imidazol-2-id-1-yl)butyl]-2H-imidazol-2-ide
CID 155625559
iridium;1-methyl-3-(4H-pyridin-4-id-3-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-[4-(3-phenyl-2H-imidazol-2-id-1-yl)butyl]-2H-imidazol-2-ide
CID 155625571
3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-2-id-1-yl)butyl]-4,5-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium
CID 155625573
3-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-2-id-1-yl)butyl]-4,5-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium
CID 155625581
3-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-2H-imidazo[4,5-b]pyrazin-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-imidazol-2-id-1-yl)butyl]-2H-imidazol-2-ide
CID 155625592
1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-2-id-1-yl)butyl]-4,5-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide
CID 155625597
1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-2-id-1-yl)butyl]-4,5-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium;1-methyl-3-(4H-pyridin-4-id-3-yl)-2H-imidazo[4,5-b]pyrazin-2-ide
CID 155625602
3-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-2H-imidazo[4,5-b]pyrazin-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-imidazol-2-id-1-yl)butyl]-2H-imidazol-2-ide
CID 155625603

Frequently Asked Questions

What is the IUPAC name of iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide?
The IUPAC name of iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide (CID 58556382) is iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide.
What is the SMILES notation for iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide?
The canonical SMILES for iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide is CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2nccnc21.[Ir].
What is the InChIKey of iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide?
The InChIKey is QWDINEHBRDJQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4.C10H10N2.Ir/c1-15-9-16(10-5-3-2-4-6-10)12-11(15)13-7-8-14-12;1-11-7-8-12(9-11)10-5-3-2-4-6-10;/h2-5,7-9H,1H3;2-5,7-9H,1H3;/q2*-2;.
What are the key properties of iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide?
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide has a molecular weight of 560.66 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide is sourced from PubChem (CID 58556382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).