2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene

C213H310N16O9S4 — CID 160585748

IUPAC2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
SMILESCC(C)(C)C1=NC2C=CC=CC2N1.CC(C)(C)c1ccc(N2CCCC2)nc1.CC(C)(C)c1cccc(-c2cccnc2)c1.CC(C)(C)c1cccc(N2CCOCC2)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nccs1.CN1CCC(C(C)(C)C)CC1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1OC.COc1ccc(OC)c(C(C)(C)C)c1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.Cn1c(C(C)(C)C)nc2ccccc21
InChIInChI=1S/C15H17N.C14H21NO.C13H20N2.C12H16N2.2C12H18O2.C11H14N2.C11H16N2.C11H13NS.3C11H16O.C10H21N.C10H14O.C10H14.C9H13N.2C8H12S.C7H12N2.C7H11NS/c1-15(2,3)14-8-4-6-12(10-14)13-7-5-9-16-11-13;1-14(2,3)12-5-4-6-13(11-12)15-7-9-16-10-8-15;1-13(2,3)11-6-7-12(14-10-11)15-8-4-5-9-15;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-12(2,3)10-8-9(13-4)6-7-11(10)14-5;1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6/h4-11H,1-3H3;4-6,11H,7-10H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;5-8H,1-4H3;2*6-8H,1-5H3;4-8H,1-3H3;4-9H,1-3H3,(H,12,13);4-7H,1-3H3;3*5-8H,1-4H3;9H,5-8H2,1-4H3;4-7,11H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyRCJDQUJUTHVEBB-UHFFFAOYSA-N
MW3367.19 g/mol
LogP56.49
Rot. Bonds10

About 2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene

2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene (PubChem CID 160585748) has the molecular formula C213H310N16O9S4 and a molecular weight of 3367.19 g/mol. Its IUPAC name is 2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene.

Molecular Properties

Compound Name2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
PubChem CID160585748
Molecular FormulaC213H310N16O9S4
Molecular Weight3367.19 g/mol
Exact Mass3364.32
IUPAC Name2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
SMILESCC(C)(C)C1=NC2C=CC=CC2N1.CC(C)(C)c1ccc(N2CCCC2)nc1.CC(C)(C)c1cccc(-c2cccnc2)c1.CC(C)(C)c1cccc(N2CCOCC2)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nccs1.CN1CCC(C(C)(C)C)CC1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1OC.COc1ccc(OC)c(C(C)(C)C)c1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.Cn1c(C(C)(C)C)nc2ccccc21
InChIInChI=1S/C15H17N.C14H21NO.C13H20N2.C12H16N2.2C12H18O2.C11H14N2.C11H16N2.C11H13NS.3C11H16O.C10H21N.C10H14O.C10H14.C9H13N.2C8H12S.C7H12N2.C7H11NS/c1-15(2,3)14-8-4-6-12(10-14)13-7-5-9-16-11-13;1-14(2,3)12-5-4-6-13(11-12)15-7-9-16-10-8-15;1-13(2,3)11-6-7-12(14-10-11)15-8-4-5-9-15;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-12(2,3)10-8-9(13-4)6-7-11(10)14-5;1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6/h4-11H,1-3H3;4-6,11H,7-10H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;5-8H,1-4H3;2*6-8H,1-5H3;4-8H,1-3H3;4-9H,1-3H3,(H,12,13);4-7H,1-3H3;3*5-8H,1-4H3;9H,5-8H2,1-4H3;4-7,11H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyRCJDQUJUTHVEBB-UHFFFAOYSA-N
XLogP56.49
TPSA256.43 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds10
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003367.19
LogP ≤ 556.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene with MolForge

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Related Compounds

3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine;4-[4-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine
CID 158668254
3aH-benzotriazole;1,3-benzodioxole;1,2,3-benzothiadiazole;2,1,3-benzothiadiazole;1,3-benzothiazole;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-2H-1,4-benzoxazine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;3H-indole;isoquinoline;heptadecakis(2-methylpropane);quinoline;quinoxaline;1,2,3,4-tetrahydroquinoline
CID 157050923
2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 157096277
1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 157323909
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butylthiophene;3-tert-butylthiophene
CID 157738295
5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine
CID 158024310
5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 158114675
5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylquinoline;6-tert-butylquinoxaline;6-propan-2-yl-1,3-benzothiazole
CID 158325406
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indole;5-tert-butylindolizine;3-tert-butyl-1H-isoindole;5-tert-butylisoquinoline;2-tert-butylpyridine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methylthieno[2,3-c]pyridine
CID 158367214
5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methylthieno[2,3-c]pyridine
CID 158432789
5-tert-butyl-1,3-benzothiazole;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158471550
5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 158975536

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene?
The IUPAC name of 2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene (CID 160585748) is 2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene.
What is the SMILES notation for 2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene?
The canonical SMILES for 2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene is CC(C)(C)C1=NC2C=CC=CC2N1.CC(C)(C)c1ccc(N2CCCC2)nc1.CC(C)(C)c1cccc(-c2cccnc2)c1.CC(C)(C)c1cccc(N2CCOCC2)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nccs1.CN1CCC(C(C)(C)C)CC1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1OC.COc1ccc(OC)c(C(C)(C)C)c1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.Cn1c(C(C)(C)C)nc2ccccc21.
What is the InChIKey of 2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene?
The InChIKey is RCJDQUJUTHVEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.C14H21NO.C13H20N2.C12H16N2.2C12H18O2.C11H14N2.C11H16N2.C11H13NS.3C11H16O.C10H21N.C10H14O.C10H14.C9H13N.2C8H12S.C7H12N2.C7H11NS/c1-15(2,3)14-8-4-6-12(10-14)13-7-5-9-16-11-13;1-14(2,3)12-5-4-6-13(11-12)15-7-9-16-10-8-15;1-13(2,3)11-6-7-12(14-10-11)15-8-4-5-9-15;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-12(2,3)10-8-9(13-4)6-7-11(10)14-5;1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6/h4-11H,1-3H3;4-6,11H,7-10H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;5-8H,1-4H3;2*6-8H,1-5H3;4-8H,1-3H3;4-9H,1-3H3,(H,12,13);4-7H,1-3H3;3*5-8H,1-4H3;9H,5-8H2,1-4H3;4-7,11H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3.
What are the key properties of 2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene?
2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene has a molecular weight of 3367.19 g/mol, XLogP of 56.49, 10 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3a,7a-dihydro-1H-benzimidazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene is sourced from PubChem (CID 160585748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).