1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium

C35H38Cl2F4N3O3Ru- — CID 59273369

IUPAC1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium
SMILESCC(C)Oc1ccc(N2C(=O)C(F)(F)C(F)(F)C2=O)cc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C21H27N2.C14H11F4NO3.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-7(2)22-10-5-4-9(6-8(10)3)19-11(20)13(15,16)14(17,18)12(19)21;;;/h9-13H,7-8H2,1-6H3;3-7H,1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyFPIDLFLZIUXNKA-UHFFFAOYSA-L
MW796.67 g/mol
LogP8.68
Rot. Bonds6

About 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium

1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium (PubChem CID 59273369) has the molecular formula C35H38Cl2F4N3O3Ru- and a molecular weight of 796.67 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium
PubChem CID59273369
Molecular FormulaC35H38Cl2F4N3O3Ru-
Molecular Weight796.67 g/mol
Exact Mass796.13
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium
SMILESCC(C)Oc1ccc(N2C(=O)C(F)(F)C(F)(F)C2=O)cc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C21H27N2.C14H11F4NO3.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-7(2)22-10-5-4-9(6-8(10)3)19-11(20)13(15,16)14(17,18)12(19)21;;;/h9-13H,7-8H2,1-6H3;3-7H,1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyFPIDLFLZIUXNKA-UHFFFAOYSA-L
XLogP8.68
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.67
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium 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

dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium
CID 59273370
dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
CID 20767012
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 170653168
1-benzyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153489728
dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-(3,5-dimethyl-1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
CID 140638313
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5-chloro-2-propan-2-yloxyphenyl)methylideneruthenium(1+);hydrochloride
CID 87271161
potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,6-dimethylbenzenethiolate);methane;molecular hydrogen
CID 160794293
dichloro-[[3-propan-2-yloxy-4-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]methylidene]ruthenium;1-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
CID 59516388
potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate)
CID 159726892
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;chloro-[[5-(dimethylsulfamoyl)-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 58568239
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-cyclopropyloxyphenyl)methylidene]ruthenium
CID 176633481
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-(3-oxobutan-2-yloxonio)phenyl]methylidene]ruthenium
CID 153084318

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium (CID 59273369) is 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium is CC(C)Oc1ccc(N2C(=O)C(F)(F)C(F)(F)C2=O)cc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium?
The InChIKey is FPIDLFLZIUXNKA-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H27N2.C14H11F4NO3.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-7(2)22-10-5-4-9(6-8(10)3)19-11(20)13(15,16)14(17,18)12(19)21;;;/h9-13H,7-8H2,1-6H3;3-7H,1-2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium?
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium has a molecular weight of 796.67 g/mol, XLogP of 8.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium is sourced from PubChem (CID 59273369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).