1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride

C31H42Cl2N2ORu — CID 24810515

IUPAC1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2)c(C)c1.Cc1ccccc1OC(C)C.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C21H28N2.C10H14O.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;1-8(2)11-10-7-5-4-6-9(10)3;;;/h9-12H,7-8,13H2,1-6H3;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyRYQAIFBLICPTBK-UHFFFAOYSA-L
MW630.67 g/mol
LogP1.61
Rot. Bonds4

About 1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride

1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride (PubChem CID 24810515) has the molecular formula C31H42Cl2N2ORu and a molecular weight of 630.67 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride
PubChem CID24810515
Molecular FormulaC31H42Cl2N2ORu
Molecular Weight630.67 g/mol
Exact Mass630.17
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2)c(C)c1.Cc1ccccc1OC(C)C.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C21H28N2.C10H14O.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;1-8(2)11-10-7-5-4-6-9(10)3;;;/h9-12H,7-8,13H2,1-6H3;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyRYQAIFBLICPTBK-UHFFFAOYSA-L
XLogP1.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.67
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(2,4,6-trimethylphenyl)-1,3-diazinane;dichlororuthenium;2-methyl-4-nitro-1-propan-2-yloxybenzene
CID 23230438
1-methyl-2-propan-2-yloxybenzene;trichlororuthenium
CID 175208112
[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dihydrochloride
CID 87442592
dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
CID 20767012
N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113111475
1-(1-iodoethoxy)-2-methylbenzene
CID 135136268
tris(2-propan-2-yloxyphenyl)borane
CID 5017314
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
1-benzyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153489728
(2-propan-2-yloxyphenyl)methylideneruthenium(1+);2,2,4-trimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide;chloride
CID 86282239
N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805651
1-[(2S,5S)-5-(2-methylphenoxy)hexan-2-yl]piperidine
CID 7460526

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride (CID 24810515) is 1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride is Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2)c(C)c1.Cc1ccccc1OC(C)C.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride?
The InChIKey is RYQAIFBLICPTBK-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H28N2.C10H14O.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;1-8(2)11-10-7-5-4-6-9(10)3;;;/h9-12H,7-8,13H2,1-6H3;4-8H,1-3H3;2*1H;/q;;;;+2/p-2.
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride?
1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride has a molecular weight of 630.67 g/mol, XLogP of 1.61, 4 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)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride is sourced from PubChem (CID 24810515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).