1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium

C37H43Cl2N2ORu- — CID 12021524

IUPAC1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
SMILESCC(C)Oc1c(C=[Ru](Cl)Cl)cccc1-c1ccccc1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C21H27N2.C16H16O.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;1-12(2)17-16-13(3)8-7-11-15(16)14-9-5-4-6-10-14;;;/h9-13H,7-8H2,1-6H3;3-12H,1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyVLKOBSWLFMLNAR-UHFFFAOYSA-L
MW703.74 g/mol
LogP10.20
Rot. Bonds6

About 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium

1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium (PubChem CID 12021524) has the molecular formula C37H43Cl2N2ORu- and a molecular weight of 703.74 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
PubChem CID12021524
Molecular FormulaC37H43Cl2N2ORu-
Molecular Weight703.74 g/mol
Exact Mass703.18
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
SMILESCC(C)Oc1c(C=[Ru](Cl)Cl)cccc1-c1ccccc1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C21H27N2.C16H16O.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;1-12(2)17-16-13(3)8-7-11-15(16)14-9-5-4-6-10-14;;;/h9-13H,7-8H2,1-6H3;3-12H,1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyVLKOBSWLFMLNAR-UHFFFAOYSA-L
XLogP10.20
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.74
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium (CID 12021524) is 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium is CC(C)Oc1c(C=[Ru](Cl)Cl)cccc1-c1ccccc1.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-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium?
The InChIKey is VLKOBSWLFMLNAR-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H27N2.C16H16O.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;1-12(2)17-16-13(3)8-7-11-15(16)14-9-5-4-6-10-14;;;/h9-13H,7-8H2,1-6H3;3-12H,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-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium?
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium has a molecular weight of 703.74 g/mol, XLogP of 10.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium is sourced from PubChem (CID 12021524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).