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

C41H56N16O3Os — CID 163872994

IUPACmethane;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
SMILESC.C#CCOCCOCCOCCn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.[Os]
InChIInChI=1S/C16H22N4O3.3C8H10N4.CH4.Os/c1-3-9-21-11-13-23-14-12-22-10-8-20-7-5-18-16(20)15-17-4-6-19(15)2;3*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;/h1,4-7H,8-14H2,2H3;3*3-6H,1-2H3;1H4;
InChIKeyRKIICKZOQKHFOM-UHFFFAOYSA-N
MW1011.24 g/mol
LogP4.06
Rot. Bonds14

About 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

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 (PubChem CID 163872994) has the molecular formula C41H56N16O3Os and a molecular weight of 1011.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethane;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
PubChem CID163872994
Molecular FormulaC41H56N16O3Os
Molecular Weight1011.24 g/mol
Exact Mass1012.43
IUPAC Namemethane;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
SMILESC.C#CCOCCOCCOCCn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.[Os]
InChIInChI=1S/C16H22N4O3.3C8H10N4.CH4.Os/c1-3-9-21-11-13-23-14-12-22-10-8-20-7-5-18-16(20)15-17-4-6-19(15)2;3*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;/h1,4-7H,8-14H2,2H3;3*3-6H,1-2H3;1H4;
InChIKeyRKIICKZOQKHFOM-UHFFFAOYSA-N
XLogP4.06
TPSA170.25 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.24
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 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 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

1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole
CID 146483333
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
1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole
CID 56889384
1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole
CID 162702986
1-hex-5-ynyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(3H-pyrrol-2-yl)imidazole
CID 163768769
2-[2-(2-methylimidazol-1-yl)ethoxy]ethanol
CID 61075883
1-(2-butoxyethyl)-2-methylimidazole
CID 63810504
1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 53342216
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine
CID 113427307
2-(2,3-dichlorophenyl)-1-methylimidazole
CID 110540593
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-propylimidazole
CID 113427513
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine
CID 104565415

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C#CCOCCOCCOCCn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.[Os].
What is the InChIKey of 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?
The InChIKey is RKIICKZOQKHFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3.3C8H10N4.CH4.Os/c1-3-9-21-11-13-23-14-12-22-10-8-20-7-5-18-16(20)15-17-4-6-19(15)2;3*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;/h1,4-7H,8-14H2,2H3;3*3-6H,1-2H3;1H4;.
What are the key properties of 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?
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 has a molecular weight of 1011.24 g/mol, XLogP of 4.06, 14 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163872994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).