5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole

C237H276ClF3N36O4S7 — CID 157425478

IUPAC5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole
SMILESC=C1Cc2ccc(C(C)C)cc2S1.CC(C)c1cc2c(cc1Cl)=NCN=2.CC(C)c1cc2c(cc1F)=NCN=2.CC(C)c1cc2scnc2cc1F.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2nc(-c3cccnc3)sc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccn2nccc2c1.CCOC(=O)c1cnn2ccc(C(C)C)cc12.Cc1cn2nc(C(C)C)ccc2n1.Cc1cnn2ccc(C(C)C)cc12.Cc1cnn2ccc(C(C)C)cc12.Cc1nc2cc(F)c(C(C)C)cc2s1.Cc1nc2ccc(C(C)C)cc2o1.Cc1nc2ccc(C(C)C)cc2s1.Cc1nc2ccc(C(C)C)cc2s1
InChIInChI=1S/C15H14N2S.C13H16N2O2.C12H14S.C11H12FNS.3C11H14N2.C11H13NO.2C11H13NS.C11H13N.C10H11ClN2.C10H11FN2.C10H10FNS.C10H13N3.4C10H12N2.C10H11NO.C10H11NS.C9H11N3/c1-10(2)11-5-6-13-14(8-11)18-15(17-13)12-4-3-7-16-9-12;1-4-17-13(16)11-8-14-15-6-5-10(9(2)3)7-12(11)15;1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;1-6(2)8-4-11-10(5-9(8)12)13-7(3)14-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;2*1-8(2)10-4-5-13-11(6-10)9(3)7-12-13;3*1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-6(2)7-3-9-10(4-8(7)11)13-5-12-9;1-6(2)7-3-10-9(4-8(7)11)12-5-13-10;1-7(2)9-4-5-10-11-8(3)6-13(10)12-9;1-8(2)9-4-6-12-10(7-9)3-5-11-12;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-3-4-10-11-5-6-12(10)7-9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-10-5-6-12(9)11-8/h3-10H,1-2H3;5-9H,4H2,1-3H3;4-5,7-8H,3,6H2,1-2H3;4-6H,1-3H3;3*4-8H,1-3H3;3*4-7H,1-3H3;3-5,7-8H,6H2,1-2H3;2*3-4,6H,5H2,1-2H3;3-6H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;2*3-5,7H,6H2,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3
InChIKeyBPXHHNPEXASGKO-UHFFFAOYSA-N
MW4009.98 g/mol
LogP58.86
Rot. Bonds25

About 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole

5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole (PubChem CID 157425478) has the molecular formula C237H276ClF3N36O4S7 and a molecular weight of 4009.98 g/mol. Its IUPAC name is 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole.

Molecular Properties

Compound Name5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole
PubChem CID157425478
Molecular FormulaC237H276ClF3N36O4S7
Molecular Weight4009.98 g/mol
Exact Mass4006.02
IUPAC Name5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole
SMILESC=C1Cc2ccc(C(C)C)cc2S1.CC(C)c1cc2c(cc1Cl)=NCN=2.CC(C)c1cc2c(cc1F)=NCN=2.CC(C)c1cc2scnc2cc1F.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2nc(-c3cccnc3)sc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccn2nccc2c1.CCOC(=O)c1cnn2ccc(C(C)C)cc12.Cc1cn2nc(C(C)C)ccc2n1.Cc1cnn2ccc(C(C)C)cc12.Cc1cnn2ccc(C(C)C)cc12.Cc1nc2cc(F)c(C(C)C)cc2s1.Cc1nc2ccc(C(C)C)cc2o1.Cc1nc2ccc(C(C)C)cc2s1.Cc1nc2ccc(C(C)C)cc2s1
InChIInChI=1S/C15H14N2S.C13H16N2O2.C12H14S.C11H12FNS.3C11H14N2.C11H13NO.2C11H13NS.C11H13N.C10H11ClN2.C10H11FN2.C10H10FNS.C10H13N3.4C10H12N2.C10H11NO.C10H11NS.C9H11N3/c1-10(2)11-5-6-13-14(8-11)18-15(17-13)12-4-3-7-16-9-12;1-4-17-13(16)11-8-14-15-6-5-10(9(2)3)7-12(11)15;1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;1-6(2)8-4-11-10(5-9(8)12)13-7(3)14-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;2*1-8(2)10-4-5-13-11(6-10)9(3)7-12-13;3*1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-6(2)7-3-9-10(4-8(7)11)13-5-12-9;1-6(2)7-3-10-9(4-8(7)11)12-5-13-10;1-7(2)9-4-5-10-11-8(3)6-13(10)12-9;1-8(2)9-4-6-12-10(7-9)3-5-11-12;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-3-4-10-11-5-6-12(10)7-9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-10-5-6-12(9)11-8/h3-10H,1-2H3;5-9H,4H2,1-3H3;4-5,7-8H,3,6H2,1-2H3;4-6H,1-3H3;3*4-8H,1-3H3;3*4-7H,1-3H3;3-5,7-8H,6H2,1-2H3;2*3-4,6H,5H2,1-2H3;3-6H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;2*3-5,7H,6H2,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3
InChIKeyBPXHHNPEXASGKO-UHFFFAOYSA-N
XLogP58.86
TPSA444.53 Ų
H-Bond Donors
H-Bond Acceptors47
Rotatable Bonds25
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004009.98
LogP ≤ 558.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1047

Analyze 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole with MolForge

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Related Compounds

Dialuminum;trigallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157760113
Acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane
CID 158004282
5-Tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyrazine
CID 158049358
1,2-Dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 158253580
CID 158717243
CID 158717243
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
2,3-dimethyl-1,3-benzothiazol-3-ium;2,3-dimethyl-2H-1,3-benzoxazole;2,3-dimethyl-1,3-oxazol-3-ium;1,2-dimethylpyrimidin-1-ium;1,2-dimethyl-5-(trifluoromethyl)pyridin-1-ium;3-methyldithiol-1-ium;2-methyl-1,3-oxazole;2-methylpyrylium;2-methylthiopyrylium;1,2,3-trimethylbenzimidazol-3-ium;1,2,3-trimethyl-2H-imidazole-1,3-diium;1,2,3-trimethylpyrazol-1-ium;1,4,5-trimethyl-1,2,4-triazol-4-ium
CID 160116091
5-Tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 160389507
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;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 160688113
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
1-Fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-phenyl-2-propan-2-ylbenzimidazole;4-phenyl-2-propan-2-ylquinoline;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-ylfuran;1-propan-2-ylisoquinoline;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 160856179
Acetonitrile;1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;1,1,1-trifluoroethane
CID 161544054

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole?
The IUPAC name of 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole (CID 157425478) is 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole.
What is the SMILES notation for 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole?
The canonical SMILES for 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole is C=C1Cc2ccc(C(C)C)cc2S1.CC(C)c1cc2c(cc1Cl)=NCN=2.CC(C)c1cc2c(cc1F)=NCN=2.CC(C)c1cc2scnc2cc1F.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2nc(-c3cccnc3)sc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccn2nccc2c1.CCOC(=O)c1cnn2ccc(C(C)C)cc12.Cc1cn2nc(C(C)C)ccc2n1.Cc1cnn2ccc(C(C)C)cc12.Cc1cnn2ccc(C(C)C)cc12.Cc1nc2cc(F)c(C(C)C)cc2s1.Cc1nc2ccc(C(C)C)cc2o1.Cc1nc2ccc(C(C)C)cc2s1.Cc1nc2ccc(C(C)C)cc2s1.
What is the InChIKey of 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole?
The InChIKey is BPXHHNPEXASGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S.C13H16N2O2.C12H14S.C11H12FNS.3C11H14N2.C11H13NO.2C11H13NS.C11H13N.C10H11ClN2.C10H11FN2.C10H10FNS.C10H13N3.4C10H12N2.C10H11NO.C10H11NS.C9H11N3/c1-10(2)11-5-6-13-14(8-11)18-15(17-13)12-4-3-7-16-9-12;1-4-17-13(16)11-8-14-15-6-5-10(9(2)3)7-12(11)15;1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;1-6(2)8-4-11-10(5-9(8)12)13-7(3)14-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;2*1-8(2)10-4-5-13-11(6-10)9(3)7-12-13;3*1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-6(2)7-3-9-10(4-8(7)11)13-5-12-9;1-6(2)7-3-10-9(4-8(7)11)12-5-13-10;1-7(2)9-4-5-10-11-8(3)6-13(10)12-9;1-8(2)9-4-6-12-10(7-9)3-5-11-12;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-3-4-10-11-5-6-12(10)7-9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-10-5-6-12(9)11-8/h3-10H,1-2H3;5-9H,4H2,1-3H3;4-5,7-8H,3,6H2,1-2H3;4-6H,1-3H3;3*4-8H,1-3H3;3*4-7H,1-3H3;3-5,7-8H,6H2,1-2H3;2*3-4,6H,5H2,1-2H3;3-6H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;2*3-5,7H,6H2,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3.
What are the key properties of 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole?
5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole has a molecular weight of 4009.98 g/mol, XLogP of 58.86, 25 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-propan-2-yl-2H-benzimidazole;ethyl 5-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate;5-fluoro-2-methyl-6-propan-2-yl-1,3-benzothiazole;5-fluoro-6-propan-2-yl-2H-benzimidazole;5-fluoro-6-propan-2-yl-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1-benzothiophene;1-methyl-6-propan-2-ylbenzimidazole;bis(2-methyl-6-propan-2-yl-1,3-benzothiazole);2-methyl-6-propan-2-yl-1,3-benzoxazole;2-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;bis(3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine);bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;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;6-propan-2-yl-2-pyridin-3-yl-1,3-benzothiazole is sourced from PubChem (CID 157425478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).