methane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium

C38H54N16OsS — CID 163476886

IUPACmethane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium
SMILESC.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1CCCCCCS.[Os]
InChIInChI=1S/C13H20N4S.3C8H10N4.CH4.Os/c1-16-9-6-14-12(16)13-15-7-10-17(13)8-4-2-3-5-11-18;3*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;/h6-7,9-10,18H,2-5,8,11H2,1H3;3*3-6H,1-2H3;1H4;
InChIKeyHVRLHSXSDKXUKW-UHFFFAOYSA-N
MW957.26 g/mol
LogP5.87
Rot. Bonds10

About methane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium

methane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium (PubChem CID 163476886) has the molecular formula C38H54N16OsS and a molecular weight of 957.26 g/mol. Its IUPAC name is methane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium.

Molecular Properties

Compound Namemethane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium
PubChem CID163476886
Molecular FormulaC38H54N16OsS
Molecular Weight957.26 g/mol
Exact Mass958.41
IUPAC Namemethane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium
SMILESC.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1CCCCCCS.[Os]
InChIInChI=1S/C13H20N4S.3C8H10N4.CH4.Os/c1-16-9-6-14-12(16)13-15-7-10-17(13)8-4-2-3-5-11-18;3*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;/h6-7,9-10,18H,2-5,8,11H2,1H3;3*3-6H,1-2H3;1H4;
InChIKeyHVRLHSXSDKXUKW-UHFFFAOYSA-N
XLogP5.87
TPSA142.56 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500957.26
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole
CID 56889384
1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole
CID 162702986
methane;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole;osmium
CID 163872994
1-hex-5-ynyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(3H-pyrrol-2-yl)imidazole
CID 163768769
1-(9-sulfanylnonyl)pyrazin-2-one
CID 112753767
1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole
CID 146483333
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
1-(16-fluorohexadecyl)-2-methylimidazole
CID 164834559
2-methyl-1-octylimidazole;hydrate
CID 174602652
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
S-(6-bromohexyl) ethanethioate;S-[6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexyl] ethanethioate;1-methyl-2-(3H-pyrrol-2-yl)imidazole
CID 163872850

Frequently Asked Questions

What is the IUPAC name of methane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium?
The IUPAC name of methane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium (CID 163476886) is methane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium.
What is the SMILES notation for methane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium?
The canonical SMILES for methane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium is C.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1CCCCCCS.[Os].
What is the InChIKey of methane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium?
The InChIKey is HVRLHSXSDKXUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S.3C8H10N4.CH4.Os/c1-16-9-6-14-12(16)13-15-7-10-17(13)8-4-2-3-5-11-18;3*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;/h6-7,9-10,18H,2-5,8,11H2,1H3;3*3-6H,1-2H3;1H4;.
What are the key properties of methane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium?
methane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium has a molecular weight of 957.26 g/mol, XLogP of 5.87, 10 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium is sourced from PubChem (CID 163476886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).