1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium

C12H10F5N2O4Re-7 — CID 139166159

IUPAC1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium
SMILESCc1n(Cc2c(F)c(F)c(F)c(F)c2F)cc[n+]1C.[O-2].[O-2].[O-2].[O-2].[Re]
InChIInChI=1S/C12H10F5N2.4O.Re/c1-6-18(2)3-4-19(6)5-7-8(13)10(15)12(17)11(16)9(7)14;;;;;/h3-4H,5H2,1-2H3;;;;;/q+1;4*-2;
InChIKeyBIPDWSMGMSGNSP-UHFFFAOYSA-N
MW527.42 g/mol
LogP1.89
Rot. Bonds2

About 1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium

1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium (PubChem CID 139166159) has the molecular formula C12H10F5N2O4Re-7 and a molecular weight of 527.42 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium.

Molecular Properties

Compound Name1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium
PubChem CID139166159
Molecular FormulaC12H10F5N2O4Re-7
Molecular Weight527.42 g/mol
Exact Mass528.02
IUPAC Name1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium
SMILESCc1n(Cc2c(F)c(F)c(F)c(F)c2F)cc[n+]1C.[O-2].[O-2].[O-2].[O-2].[Re]
InChIInChI=1S/C12H10F5N2.4O.Re/c1-6-18(2)3-4-19(6)5-7-8(13)10(15)12(17)11(16)9(7)14;;;;;/h3-4H,5H2,1-2H3;;;;;/q+1;4*-2;
InChIKeyBIPDWSMGMSGNSP-UHFFFAOYSA-N
XLogP1.89
TPSA122.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium?
The IUPAC name of 1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium (CID 139166159) is 1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium.
What is the SMILES notation for 1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium?
The canonical SMILES for 1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium is Cc1n(Cc2c(F)c(F)c(F)c(F)c2F)cc[n+]1C.[O-2].[O-2].[O-2].[O-2].[Re].
What is the InChIKey of 1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium?
The InChIKey is BIPDWSMGMSGNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F5N2.4O.Re/c1-6-18(2)3-4-19(6)5-7-8(13)10(15)12(17)11(16)9(7)14;;;;;/h3-4H,5H2,1-2H3;;;;;/q+1;4*-2;.
What are the key properties of 1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium?
1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium has a molecular weight of 527.42 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazol-1-ium;tetrakis(oxygen(2-));rhenium is sourced from PubChem (CID 139166159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).