carbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride

C16H22Cl2N4O6Rh2-2 — CID 139144797

IUPACcarbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride
SMILESCCO.CCO.Cn1ccnc1-c1nccn1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Cl-].[Rh].[Rh]
InChIInChI=1S/C8H10N4.2C2H6O.4CO.2ClH.2Rh/c1-11-5-3-9-7(11)8-10-4-6-12(8)2;2*1-2-3;4*1-2;;;;/h3-6H,1-2H3;2*3H,2H2,1H3;;;;;2*1H;;/p-2
InChIKeyWTLMCHRIHIILFS-UHFFFAOYSA-L
MW643.09 g/mol
LogP-5.33
Rot. Bonds1

About carbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride

carbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride (PubChem CID 139144797) has the molecular formula C16H22Cl2N4O6Rh2-2 and a molecular weight of 643.09 g/mol. Its IUPAC name is carbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride.

Molecular Properties

Compound Namecarbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride
PubChem CID139144797
Molecular FormulaC16H22Cl2N4O6Rh2-2
Molecular Weight643.09 g/mol
Exact Mass641.90
IUPAC Namecarbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride
SMILESCCO.CCO.Cn1ccnc1-c1nccn1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Cl-].[Rh].[Rh]
InChIInChI=1S/C8H10N4.2C2H6O.4CO.2ClH.2Rh/c1-11-5-3-9-7(11)8-10-4-6-12(8)2;2*1-2-3;4*1-2;;;;/h3-6H,1-2H3;2*3H,2H2,1H3;;;;;2*1H;;/p-2
InChIKeyWTLMCHRIHIILFS-UHFFFAOYSA-L
XLogP-5.33
TPSA155.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.09
LogP ≤ 5-5.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
1-(1-methylimidazol-2-yl)propane-1-thiol
CID 174522847
1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole
CID 56889384
bis(1-methyl-2-phenylimidazole);pentane
CID 134304641
N,N-diethyl-5-[2-(1-methylimidazol-2-yl)imidazol-1-yl]pyridin-2-amine
CID 70710812
2-(5-ethylthiophen-2-yl)-1-methylimidazole
CID 145483602
1-methyl-2-(1-methylimidazol-2-yl)benzimidazole
CID 71348433
ethane;1-methyl-2-phenylimidazole
CID 142155183
1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole
CID 162702986
2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide
CID 58672264
3-tert-butyl-4-methyl-5-(1-methylimidazol-2-yl)-1,2,4-triazole
CID 59539739

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride?
The IUPAC name of carbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride (CID 139144797) is carbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride.
What is the SMILES notation for carbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride?
The canonical SMILES for carbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride is CCO.CCO.Cn1ccnc1-c1nccn1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Cl-].[Rh].[Rh].
What is the InChIKey of carbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride?
The InChIKey is WTLMCHRIHIILFS-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10N4.2C2H6O.4CO.2ClH.2Rh/c1-11-5-3-9-7(11)8-10-4-6-12(8)2;2*1-2-3;4*1-2;;;;/h3-6H,1-2H3;2*3H,2H2,1H3;;;;;2*1H;;/p-2.
What are the key properties of carbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride?
carbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride has a molecular weight of 643.09 g/mol, XLogP of -5.33, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride is sourced from PubChem (CID 139144797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).