2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

C179H228N24S7 — CID 157379861

IUPAC2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccn2ncnc2c1.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nc2ccncc2s1.CC(C)(C)c1nc2cnccc2s1.CC(C)(C)c1nc2ncccc2[nH]1
InChIInChI=1S/C13H15N.C13H16.C12H14N2.C12H15N.C12H17N.C12H14S.C11H18N2.C11H14N2.C11H13NS.C11H17NS.C11H13NS.2C10H13N3.3C10H12N2S/c1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9/h4-9H,1-3H3;4,6-9H,5H2,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-8H,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-7H2,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);3*4-6H,1-3H3
InChIKeyBKTDYERRLHRKLN-UHFFFAOYSA-N
MW2940.43 g/mol
LogP49.53
Rot. Bonds

About 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 157379861) has the molecular formula C179H228N24S7 and a molecular weight of 2940.43 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID157379861
Molecular FormulaC179H228N24S7
Molecular Weight2940.43 g/mol
Exact Mass2937.66
IUPAC Name2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccn2ncnc2c1.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nc2ccncc2s1.CC(C)(C)c1nc2cnccc2s1.CC(C)(C)c1nc2ncccc2[nH]1
InChIInChI=1S/C13H15N.C13H16.C12H14N2.C12H15N.C12H17N.C12H14S.C11H18N2.C11H14N2.C11H13NS.C11H17NS.C11H13NS.2C10H13N3.3C10H12N2S/c1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9/h4-9H,1-3H3;4,6-9H,5H2,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-8H,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-7H2,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);3*4-6H,1-3H3
InChIKeyBKTDYERRLHRKLN-UHFFFAOYSA-N
XLogP49.53
TPSA289.38 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002940.43
LogP ≤ 549.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-[[3-[7-(5-fluorothiophen-2-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137024832
2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;methane;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 157113750
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 157653295
2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 157793600
4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methyl-3H-benzimidazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;N-methyl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 158248038
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 158435881
2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;methane;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 158970318
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 159439054
3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 159608765
2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 159820862
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 160060630
4-methyl-1-[(4-methyl-1H-pyrazol-5-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[(5-methyl-3H-pyrazol-4-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(2-pyridin-3-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 160530428

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (CID 157379861) is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccn2ncnc2c1.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nc2ccncc2s1.CC(C)(C)c1nc2cnccc2s1.CC(C)(C)c1nc2ncccc2[nH]1.
What is the InChIKey of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BKTDYERRLHRKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C13H16.C12H14N2.C12H15N.C12H17N.C12H14S.C11H18N2.C11H14N2.C11H13NS.C11H17NS.C11H13NS.2C10H13N3.3C10H12N2S/c1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9/h4-9H,1-3H3;4,6-9H,5H2,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-8H,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-7H2,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);3*4-6H,1-3H3.
What are the key properties of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 2940.43 g/mol, XLogP of 49.53, 0 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 157379861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).