chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine)

C42H46ClN12Os — CID 162779747

IUPACchloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine)
SMILESCCC(CC(CC(CC(C)n1ccnc1)n1ccnc1)n1ccnc1)n1ccnc1.Cl[Os].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H30N8.2C10H8N2.ClH.Os/c1-3-20(28-9-5-24-16-28)13-22(30-11-7-26-18-30)14-21(29-10-6-25-17-29)12-19(2)27-8-4-23-15-27;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h4-11,15-22H,3,12-14H2,1-2H3;2*1-8H;1H;/q;;;;+1/p-1
InChIKeyHDFLAFYSHZYPKW-UHFFFAOYSA-M
MW944.60 g/mol
LogP9.31
Rot. Bonds13

About chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine)

chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine) (PubChem CID 162779747) has the molecular formula C42H46ClN12Os and a molecular weight of 944.60 g/mol. Its IUPAC name is chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namechloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine)
PubChem CID162779747
Molecular FormulaC42H46ClN12Os
Molecular Weight944.60 g/mol
Exact Mass945.33
IUPAC Namechloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine)
SMILESCCC(CC(CC(CC(C)n1ccnc1)n1ccnc1)n1ccnc1)n1ccnc1.Cl[Os].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H30N8.2C10H8N2.ClH.Os/c1-3-20(28-9-5-24-16-28)13-22(30-11-7-26-18-30)14-21(29-10-6-25-17-29)12-19(2)27-8-4-23-15-27;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h4-11,15-22H,3,12-14H2,1-2H3;2*1-8H;1H;/q;;;;+1/p-1
InChIKeyHDFLAFYSHZYPKW-UHFFFAOYSA-M
XLogP9.31
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500944.60
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine) 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

7-Methyl-3-[[4-[(7-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine
CID 122183054
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
CID 145424538
3-Pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine
CID 73295419
3-Pyridin-2-yl-1-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine
CID 101358932
9,18-Dipyrrolidin-1-yl-10,17-diaza-8,19-diazoniahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(24),2,4,6,8,11,13,15,18,20,22-undecaene
CID 393981
Bis(1-methylimidazole);platinum;2-pyridin-2-ylpyridine
CID 499510
2,6-Dipyridin-2-ylpyridine;1-methylimidazole;platinum
CID 499511
2-N,5-N-bis(1-methylbenzimidazol-2-yl)-3a,6a-dipyridin-2-yl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-diamine
CID 44533207
2-(2-fluoro-3-pyridinyl)-8-[[2-(6-fluoro-3-pyridinyl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-5-yl]methyl]-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 143839480
3,6-dimethyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;(6S)-3,6-dimethyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 153629301
(8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 154970541
(6S)-3,6-dimethyl-1-[6-[[6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 154970575

Frequently Asked Questions

What is the IUPAC name of chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine)?
The IUPAC name of chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine) (CID 162779747) is chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine) is CCC(CC(CC(CC(C)n1ccnc1)n1ccnc1)n1ccnc1)n1ccnc1.Cl[Os].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine)?
The InChIKey is HDFLAFYSHZYPKW-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H30N8.2C10H8N2.ClH.Os/c1-3-20(28-9-5-24-16-28)13-22(30-11-7-26-18-30)14-21(29-10-6-25-17-29)12-19(2)27-8-4-23-15-27;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h4-11,15-22H,3,12-14H2,1-2H3;2*1-8H;1H;/q;;;;+1/p-1.
What are the key properties of chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine)?
chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine) has a molecular weight of 944.60 g/mol, XLogP of 9.31, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 162779747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).