iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole

C21H20IrN4-2 — CID 58163056

IUPACiridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole
SMILESCc1cc[c-]c(-c2nccn2C)c1.Cn1ccnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C11H11N2.C10H9N2.Ir/c1-9-4-3-5-10(8-9)11-12-6-7-13(11)2;1-12-8-7-11-10(12)9-5-3-2-4-6-9;/h3-4,6-8H,1-2H3;2-5,7-8H,1H3;/q2*-1;
InChIKeyXZQVLRLPCKHCQF-UHFFFAOYSA-N
MW520.64 g/mol
LogP4.08
Rot. Bonds2

About iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole

iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole (PubChem CID 58163056) has the molecular formula C21H20IrN4-2 and a molecular weight of 520.64 g/mol. Its IUPAC name is iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole.

Molecular Properties

Compound Nameiridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole
PubChem CID58163056
Molecular FormulaC21H20IrN4-2
Molecular Weight520.64 g/mol
Exact Mass521.13
IUPAC Nameiridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole
SMILESCc1cc[c-]c(-c2nccn2C)c1.Cn1ccnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C11H11N2.C10H9N2.Ir/c1-9-4-3-5-10(8-9)11-12-6-7-13(11)2;1-12-8-7-11-10(12)9-5-3-2-4-6-9;/h3-4,6-8H,1-2H3;2-5,7-8H,1H3;/q2*-1;
InChIKeyXZQVLRLPCKHCQF-UHFFFAOYSA-N
XLogP4.08
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.64
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)
CID 59661470
Iridium;1-methyl-2-phenylimidazole;1-phenyl-1,2,4-triazole
CID 57596125
iridium;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;1-methyl-2-phenylimidazole
CID 57596137
Iridium;1-methyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole
CID 57596149
Iridium;1-methyl-2-phenylimidazole
CID 57596182
Iridium;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole
CID 57653835
Iridium;2-phenyl-1-propan-2-ylimidazole
CID 57873973
(Z)-4-hydroxypent-3-en-2-one;iridium;1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole;cyanide
CID 57973054
CID 58162517
CID 58162517
1-Methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+)
CID 58163118
iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide
CID 58220024
Tetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide
CID 58274050

Frequently Asked Questions

What is the IUPAC name of iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole?
The IUPAC name of iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole (CID 58163056) is iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole.
What is the SMILES notation for iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole?
The canonical SMILES for iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole is Cc1cc[c-]c(-c2nccn2C)c1.Cn1ccnc1-c1[c-]cccc1.[Ir].
What is the InChIKey of iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole?
The InChIKey is XZQVLRLPCKHCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2.C10H9N2.Ir/c1-9-4-3-5-10(8-9)11-12-6-7-13(11)2;1-12-8-7-11-10(12)9-5-3-2-4-6-9;/h3-4,6-8H,1-2H3;2-5,7-8H,1H3;/q2*-1;.
What are the key properties of iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole?
iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole has a molecular weight of 520.64 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole is sourced from PubChem (CID 58163056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).