tris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

C249H293N39O2S4 — CID 158779577

IUPACtris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)C1=CC2=NCCN2C=C1.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)NC=NC2.CC(C)c1ccc2c(c1)SCC2.CC(C)c1ccc2c(c1)SCC2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccn2nccc2c1.CC(C)c1ccn2nccc2n1.CC(C)c1cnc2ncccc2n1
InChIInChI=1S/4C12H13N.C11H14N2.C11H13N.2C11H14S.C10H11N3.C10H12N2.C10H14N2.6C10H12N2.2C10H11NO.2C10H11NS.3C9H11N3/c2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-6-12-10-8(13-9)4-3-5-11-10;1-8(2)9-4-6-12-10(7-9)3-5-11-12;1-8(2)9-3-5-12-6-4-11-10(12)7-9;4*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-8(2)9-3-4-10-11-5-6-12(10)7-9;4*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-6-12-9(11-8)3-5-10-12;1-7(2)8-3-4-9-10-6-11-12(9)5-8;1-7(2)8-3-4-9-10-5-6-12(9)11-8/h4*3-9H,1-2H3;3-5,7-8H,6H2,1-2H3,(H,12,13);3-5,7-8H,6H2,1-2H3;2*3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3,5,7-8H,4,6H2,1-2H3;3*3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,12);2*3-8H,1-2H3;7*3-7H,1-2H3
InChIKeyIQXAPCMFIPHLSQ-UHFFFAOYSA-N
MW3992.62 g/mol
LogP59.72
Rot. Bonds24

About tris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

tris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158779577) has the molecular formula C249H293N39O2S4 and a molecular weight of 3992.62 g/mol. Its IUPAC name is tris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Nametris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID158779577
Molecular FormulaC249H293N39O2S4
Molecular Weight3992.62 g/mol
Exact Mass3989.29
IUPAC Nametris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)C1=CC2=NCCN2C=C1.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)NC=NC2.CC(C)c1ccc2c(c1)SCC2.CC(C)c1ccc2c(c1)SCC2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccn2nccc2c1.CC(C)c1ccn2nccc2n1.CC(C)c1cnc2ncccc2n1
InChIInChI=1S/4C12H13N.C11H14N2.C11H13N.2C11H14S.C10H11N3.C10H12N2.C10H14N2.6C10H12N2.2C10H11NO.2C10H11NS.3C9H11N3/c2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-6-12-10-8(13-9)4-3-5-11-10;1-8(2)9-4-6-12-10(7-9)3-5-11-12;1-8(2)9-3-5-12-6-4-11-10(12)7-9;4*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-8(2)9-3-4-10-11-5-6-12(10)7-9;4*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-6-12-9(11-8)3-5-10-12;1-7(2)8-3-4-9-10-6-11-12(9)5-8;1-7(2)8-3-4-9-10-5-6-12(9)11-8/h4*3-9H,1-2H3;3-5,7-8H,6H2,1-2H3,(H,12,13);3-5,7-8H,6H2,1-2H3;2*3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3,5,7-8H,4,6H2,1-2H3;3*3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,12);2*3-8H,1-2H3;7*3-7H,1-2H3
InChIKeyIQXAPCMFIPHLSQ-UHFFFAOYSA-N
XLogP59.72
TPSA465.73 Ų
H-Bond Donors2
H-Bond Acceptors44
Rotatable Bonds24
Heavy Atoms294
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003992.62
LogP ≤ 559.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1044

Analyze tris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine 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-methoxy-3-propan-2-ylbenzene;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-8-(trifluoromethyl)quinoline
CID 157276904
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;2-tert-butyl-3-chloropyrazolo[1,5-a]pyrimidine;2-tert-butyl-5-chloropyrazolo[1,5-a]pyrimidine;2-tert-butyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine;3-tert-butyl-2-cyclopropylimidazo[1,2-b]pyridazine;2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylimidazo[1,2-a]pyrazine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 158333268
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
CID 158633368
CID 158633368
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-hydroxy-1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)ethanone;1-methyl-4-propan-2-ylbenzimidazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 159334865
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
CID 160156765
CID 160156765
6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-2-(trifluoromethyl)-1H-benzimidazole
CID 160297141
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291

Frequently Asked Questions

What is the IUPAC name of tris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of tris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 158779577) is tris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for tris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for tris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is CC(C)C1=CC2=NCCN2C=C1.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)NC=NC2.CC(C)c1ccc2c(c1)SCC2.CC(C)c1ccc2c(c1)SCC2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccn2nccc2c1.CC(C)c1ccn2nccc2n1.CC(C)c1cnc2ncccc2n1.
What is the InChIKey of tris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is IQXAPCMFIPHLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H13N.C11H14N2.C11H13N.2C11H14S.C10H11N3.C10H12N2.C10H14N2.6C10H12N2.2C10H11NO.2C10H11NS.3C9H11N3/c2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-6-12-10-8(13-9)4-3-5-11-10;1-8(2)9-4-6-12-10(7-9)3-5-11-12;1-8(2)9-3-5-12-6-4-11-10(12)7-9;4*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-8(2)9-3-4-10-11-5-6-12(10)7-9;4*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-6-12-9(11-8)3-5-10-12;1-7(2)8-3-4-9-10-6-11-12(9)5-8;1-7(2)8-3-4-9-10-5-6-12(9)11-8/h4*3-9H,1-2H3;3-5,7-8H,6H2,1-2H3,(H,12,13);3-5,7-8H,6H2,1-2H3;2*3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3,5,7-8H,4,6H2,1-2H3;3*3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,12);2*3-8H,1-2H3;7*3-7H,1-2H3.
What are the key properties of tris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
tris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 3992.62 g/mol, XLogP of 59.72, 24 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,4-dihydroquinazoline;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoline;bis(6-propan-2-ylquinoline);7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158779577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).