1-butan-2-ylimidazole;chloroosmium;dichloroosmium;1-(1-ethyl-3-imidazol-1-ylbutyl)imidazole;tetrakis(2-pyridin-2-ylpyridine);chloride

C59H62Cl4N14Os2- — CID 163840330

IUPAC1-butan-2-ylimidazole;chloroosmium;dichloroosmium;1-(1-ethyl-3-imidazol-1-ylbutyl)imidazole;tetrakis(2-pyridin-2-ylpyridine);chloride
SMILESCCC(C)n1ccnc1.CCC(CC(C)n1ccnc1)n1ccnc1.Cl[Os].Cl[Os]Cl.[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H18N4.4C10H8N2.C7H12N2.4ClH.2Os/c1-3-12(16-7-5-14-10-16)8-11(2)15-6-4-13-9-15;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-7(2)9-5-4-8-6-9;;;;;;/h4-7,9-12H,3,8H2,1-2H3;4*1-8H;4-7H,3H2,1-2H3;4*1H;;/q;;;;;;;;;;+1;+2/p-4
InChIKeyBKYWSAAXBHFMOI-UHFFFAOYSA-J
MW1489.51 g/mol
LogP12.18
Rot. Bonds11

About 1-butan-2-ylimidazole;chloroosmium;dichloroosmium;1-(1-ethyl-3-imidazol-1-ylbutyl)imidazole;tetrakis(2-pyridin-2-ylpyridine);chloride

1-butan-2-ylimidazole;chloroosmium;dichloroosmium;1-(1-ethyl-3-imidazol-1-ylbutyl)imidazole;tetrakis(2-pyridin-2-ylpyridine);chloride (PubChem CID 163840330) has the molecular formula C59H62Cl4N14Os2- and a molecular weight of 1489.51 g/mol. Its IUPAC name is 1-butan-2-ylimidazole;chloroosmium;dichloroosmium;1-(1-ethyl-3-imidazol-1-ylbutyl)imidazole;tetrakis(2-pyridin-2-ylpyridine);chloride.

Molecular Properties

Compound Name1-butan-2-ylimidazole;chloroosmium;dichloroosmium;1-(1-ethyl-3-imidazol-1-ylbutyl)imidazole;tetrakis(2-pyridin-2-ylpyridine);chloride
PubChem CID163840330
Molecular FormulaC59H62Cl4N14Os2-
Molecular Weight1489.51 g/mol
Exact Mass1490.33
IUPAC Name1-butan-2-ylimidazole;chloroosmium;dichloroosmium;1-(1-ethyl-3-imidazol-1-ylbutyl)imidazole;tetrakis(2-pyridin-2-ylpyridine);chloride
SMILESCCC(C)n1ccnc1.CCC(CC(C)n1ccnc1)n1ccnc1.Cl[Os].Cl[Os]Cl.[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H18N4.4C10H8N2.C7H12N2.4ClH.2Os/c1-3-12(16-7-5-14-10-16)8-11(2)15-6-4-13-9-15;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-7(2)9-5-4-8-6-9;;;;;;/h4-7,9-12H,3,8H2,1-2H3;4*1-8H;4-7H,3H2,1-2H3;4*1H;;/q;;;;;;;;;;+1;+2/p-4
InChIKeyBKYWSAAXBHFMOI-UHFFFAOYSA-J
XLogP12.18
TPSA156.58 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001489.51
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride
CID 163514694
chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine)
CID 162779747
2-[3-(4-imidazol-1-ylhexan-2-yl)imidazol-1-ium-1-yl]ethanamine
CID 176846057
2-[3-(4-imidazol-1-ylhexan-2-yl)imidazol-1-ium-1-yl]ethanethiol
CID 162477301
1-hexan-3-ylimidazole
CID 54145075
5-imidazol-1-ylhexan-3-amine
CID 122542899
1-(5-ethyloctan-3-yl)imidazole
CID 140807284
2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol
CID 58586517
propane;2-pyridin-2-ylpyridine
CID 158168510
chloroosmium;3-imidazol-1-ylpropan-1-amine;bis(2-pyridin-2-ylpyridine)
CID 11585550
1-heptan-3-ylimidazole;hydrobromide
CID 174803482
1-butan-2-ylimidazole;methyl hydrogen carbonate
CID 174740697

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylimidazole;chloroosmium;dichloroosmium;1-(1-ethyl-3-imidazol-1-ylbutyl)imidazole;tetrakis(2-pyridin-2-ylpyridine);chloride?
The IUPAC name of 1-butan-2-ylimidazole;chloroosmium;dichloroosmium;1-(1-ethyl-3-imidazol-1-ylbutyl)imidazole;tetrakis(2-pyridin-2-ylpyridine);chloride (CID 163840330) is 1-butan-2-ylimidazole;chloroosmium;dichloroosmium;1-(1-ethyl-3-imidazol-1-ylbutyl)imidazole;tetrakis(2-pyridin-2-ylpyridine);chloride.
What is the SMILES notation for 1-butan-2-ylimidazole;chloroosmium;dichloroosmium;1-(1-ethyl-3-imidazol-1-ylbutyl)imidazole;tetrakis(2-pyridin-2-ylpyridine);chloride?
The canonical SMILES for 1-butan-2-ylimidazole;chloroosmium;dichloroosmium;1-(1-ethyl-3-imidazol-1-ylbutyl)imidazole;tetrakis(2-pyridin-2-ylpyridine);chloride is CCC(C)n1ccnc1.CCC(CC(C)n1ccnc1)n1ccnc1.Cl[Os].Cl[Os]Cl.[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 1-butan-2-ylimidazole;chloroosmium;dichloroosmium;1-(1-ethyl-3-imidazol-1-ylbutyl)imidazole;tetrakis(2-pyridin-2-ylpyridine);chloride?
The InChIKey is BKYWSAAXBHFMOI-UHFFFAOYSA-J. The full InChI is InChI=1S/C12H18N4.4C10H8N2.C7H12N2.4ClH.2Os/c1-3-12(16-7-5-14-10-16)8-11(2)15-6-4-13-9-15;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-7(2)9-5-4-8-6-9;;;;;;/h4-7,9-12H,3,8H2,1-2H3;4*1-8H;4-7H,3H2,1-2H3;4*1H;;/q;;;;;;;;;;+1;+2/p-4.
What are the key properties of 1-butan-2-ylimidazole;chloroosmium;dichloroosmium;1-(1-ethyl-3-imidazol-1-ylbutyl)imidazole;tetrakis(2-pyridin-2-ylpyridine);chloride?
1-butan-2-ylimidazole;chloroosmium;dichloroosmium;1-(1-ethyl-3-imidazol-1-ylbutyl)imidazole;tetrakis(2-pyridin-2-ylpyridine);chloride has a molecular weight of 1489.51 g/mol, XLogP of 12.18, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylimidazole;chloroosmium;dichloroosmium;1-(1-ethyl-3-imidazol-1-ylbutyl)imidazole;tetrakis(2-pyridin-2-ylpyridine);chloride is sourced from PubChem (CID 163840330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).