bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole

C99H138N14OS — CID 161026171

IUPACbis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2ccncc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1cncc2ccccc12.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1ncco1.Cc1nccs1.Cc1nnc(C)n1C
InChIInChI=1S/5C10H9N.2C9H10N2.C5H9N3.C4H5NO.C4H5NS.9C2H6/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-3-2-4-9-5-6-11-7-10(8)9;1-8-6-11-7-9-4-2-3-5-10(8)9;1-8-6-7-11-10-5-3-2-4-9(8)10;2*1-7-8(2)11-6-4-3-5-9(11)10-7;1-4-6-7-5(2)8(4)3;2*1-4-5-2-3-6-4;9*1-2/h5*2-7H,1H3;2*3-6H,1-2H3;1-3H3;2*2-3H,1H3;9*1-2H3
InChIKeyTYZRLBWAMUKBDI-UHFFFAOYSA-N
MW1572.36 g/mol
LogP28.72
Rot. Bonds

About bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole

bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole (PubChem CID 161026171) has the molecular formula C99H138N14OS and a molecular weight of 1572.36 g/mol. Its IUPAC name is bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole.

Molecular Properties

Compound Namebis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
PubChem CID161026171
Molecular FormulaC99H138N14OS
Molecular Weight1572.36 g/mol
Exact Mass1571.09
IUPAC Namebis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2ccncc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1cncc2ccccc12.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1ncco1.Cc1nccs1.Cc1nnc(C)n1C
InChIInChI=1S/5C10H9N.2C9H10N2.C5H9N3.C4H5NO.C4H5NS.9C2H6/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-3-2-4-9-5-6-11-7-10(8)9;1-8-6-11-7-9-4-2-3-5-10(8)9;1-8-6-7-11-10-5-3-2-4-9(8)10;2*1-7-8(2)11-6-4-3-5-9(11)10-7;1-4-6-7-5(2)8(4)3;2*1-4-5-2-3-6-4;9*1-2/h5*2-7H,1H3;2*3-6H,1-2H3;1-3H3;2*2-3H,1H3;9*1-2H3
InChIKeyTYZRLBWAMUKBDI-UHFFFAOYSA-N
XLogP28.72
TPSA168.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001572.36
LogP ≤ 528.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane
CID 157430414
CID 160744009
CID 160744009
1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane
CID 160824705
1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane
CID 161226036
1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane
CID 161231681
2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole
CID 141144443
bis(2,6-dimethyl-1H-benzimidazole);bis(2,7-dimethyl-3H-benzo[e]benzimidazole);2,7-dimethyl-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-3H-imidazo[4,5-b]pyrazine);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);bis(2,6-dimethyl-1H-imidazo[4,5-b]pyridine);bis(2,6-dimethyl-3H-imidazo[4,5-c]pyridine);tris(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(2,8-dimethyl-7H-purine);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-1H-imidazole
CID 157379391
2,4-Bis(2,6-dimethylphenyl)-1,6-dimethyl-1,3,5-triazin-1-ium;2,3-dimethyl-1,3-oxazol-3-ium;1,2-dimethyl-3-phenylbenzimidazol-1-ium;1,2-dimethyl-3-phenylimidazol-1-ium;3,4-dimethyl-1-phenylimidazol-1-ium;2,3-dimethyl-1,3-thiazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylimidazol-3-ium
CID 157402023
Bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole)
CID 157474352
CID 157525435
CID 157525435
7-[4-[3-(3-Carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
CID 157549107
11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(4-phenylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;platinum;heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide
CID 157556205

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole?
The IUPAC name of bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole (CID 161026171) is bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole.
What is the SMILES notation for bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole?
The canonical SMILES for bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2ccncc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1cncc2ccccc12.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1ncco1.Cc1nccs1.Cc1nnc(C)n1C.
What is the InChIKey of bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole?
The InChIKey is TYZRLBWAMUKBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/5C10H9N.2C9H10N2.C5H9N3.C4H5NO.C4H5NS.9C2H6/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-3-2-4-9-5-6-11-7-10(8)9;1-8-6-11-7-9-4-2-3-5-10(8)9;1-8-6-7-11-10-5-3-2-4-9(8)10;2*1-7-8(2)11-6-4-3-5-9(11)10-7;1-4-6-7-5(2)8(4)3;2*1-4-5-2-3-6-4;9*1-2/h5*2-7H,1H3;2*3-6H,1-2H3;1-3H3;2*2-3H,1H3;9*1-2H3.
What are the key properties of bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole?
bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole has a molecular weight of 1572.36 g/mol, XLogP of 28.72, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 161026171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).