1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)

C40H32F6N10Os — CID 140775502

IUPAC1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
SMILESCc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cn1ccnc1-c1nccn1C.[Os+2]
InChIInChI=1S/2C16H11F3N3.C8H10N4.Os/c2*1-10-7-13(14-8-15(22-21-14)16(17,18)19)20-9-12(10)11-5-3-2-4-6-11;1-11-5-3-9-7(11)8-10-4-6-12(8)2;/h2*2-9H,1H3;3-6H,1-2H3;/q2*-1;;+2
InChIKeyKMINXIMLXAFSIN-UHFFFAOYSA-N
MW956.98 g/mol
LogP9.01
Rot. Bonds5

About 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)

1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) (PubChem CID 140775502) has the molecular formula C40H32F6N10Os and a molecular weight of 956.98 g/mol. Its IUPAC name is 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+).

Molecular Properties

Compound Name1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
PubChem CID140775502
Molecular FormulaC40H32F6N10Os
Molecular Weight956.98 g/mol
Exact Mass958.23
IUPAC Name1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
SMILESCc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cn1ccnc1-c1nccn1C.[Os+2]
InChIInChI=1S/2C16H11F3N3.C8H10N4.Os/c2*1-10-7-13(14-8-15(22-21-14)16(17,18)19)20-9-12(10)11-5-3-2-4-6-11;1-11-5-3-9-7(11)8-10-4-6-12(8)2;/h2*2-9H,1H3;3-6H,1-2H3;/q2*-1;;+2
InChIKeyKMINXIMLXAFSIN-UHFFFAOYSA-N
XLogP9.01
TPSA115.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.98
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-[[2-(2-Fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]triazol-1-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 145968901
(S)-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a] pyridin-6-yl)-2-((l-methylpyrrolidin-2-yl)methyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490652
2-(2,6-Difluorobenzyl)-8-(3-methylimidazo[l,2-a] pyridin-6-yl)-7-(pyrrolidin-1-yl)-[1,2,4]triazolo [1,5-c]pyrimidin-5-amine
CID 146490653
(R)-7-(4-fluorophenyl)-8-(3-methylimidazo[l,2-a]pyrdin-6-yl)-2-((1-methylpyrrolidin-2-yl)meth yl)-[l,2,4]triazolo[l,5-c]pyrimidin-5-amine
CID 146490656
5-[2-(1-Methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)pyrazolo[5,1-f][1,6]naphthyridine
CID 118708354
6-fluoro-5-[1-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 155541201
US9725449, Example 260
CID 122686339
US10906905, Example 40-1
CID 134439636
3-[4-[5-[Difluoro-(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 168264555
Bis(2-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine);bis(2-[4-[4-(1,1,2,2,3,3-hexafluoropropyl)phenyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine);bis(iron(3+));tetraisothiocyanate
CID 139142845
Platinum(2+);3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)pyrazol-1-ide;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine
CID 168346600
8-fluoro-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine
CID 10403658

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)?
The IUPAC name of 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) (CID 140775502) is 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+).
What is the SMILES notation for 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)?
The canonical SMILES for 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) is Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cc1cc(-c2cc(C(F)(F)F)n[n-]2)ncc1-c1ccccc1.Cn1ccnc1-c1nccn1C.[Os+2].
What is the InChIKey of 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)?
The InChIKey is KMINXIMLXAFSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H11F3N3.C8H10N4.Os/c2*1-10-7-13(14-8-15(22-21-14)16(17,18)19)20-9-12(10)11-5-3-2-4-6-11;1-11-5-3-9-7(11)8-10-4-6-12(8)2;/h2*2-9H,1H3;3-6H,1-2H3;/q2*-1;;+2.
What are the key properties of 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)?
1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) has a molecular weight of 956.98 g/mol, XLogP of 9.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) is sourced from PubChem (CID 140775502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).