6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline

C237H315N45O3S2 — CID 158496713

IUPAC6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline
SMILESC=C1Cc2cc(C(C)(C)C)ccc2N1.C=C1Cc2nc(C(C)(C)C)cnc2N1.CC(C)(C)c1cc(N)c2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]cc(CO)c2c1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]nc(N)c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1cnc2[nH]ccc2n1.CC(C)(C)c1cnc2c(c1)CC=C2.CC(C)(C)c1cnc2c(c1)CCN2.CC(C)(C)c1cnc2c(c1)OCCN2.CC(C)(C)c1cnc2nc[nH]c2c1.CC(C)(C)c1cnc2nc[nH]c2n1.CC(C)(C)c1cnc2ncccc2c1.CC(C)(C)c1coc(N)n1.CC(C)(C)c1ncc2c(n1)CC=C2.Cc1ccc(C(C)(C)C)nn1.Cc1nnc(C(C)(C)C)s1
InChIInChI=1S/C13H17NO.C13H17N.C12H16N2.2C12H14N2.2C12H15N.2C11H15N3.C11H16N2O.C11H14N2.C11H16N2.3C11H14N2.C11H13NS.2C10H13N3.C9H12N4.C9H14N2.C7H12N2O.C7H12N2S/c1-13(2,3)10-4-5-12-11(6-10)9(8-15)7-14-12;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-12(2,3)9-6-8-4-5-14-11(8)10(13)7-9;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-7-9-5-4-6-13-11(9)14-8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-7-5-8-10(13-7)12-6-9(14-8)11(2,3)4;1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9;1-11(2,3)8-6-9-10(13-7-8)12-4-5-14-9;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;2*1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-10(2,3)7-4-8-9(11-5-7)13-6-12-8;1-10(2,3)8-6-12-9-7(13-8)4-5-11-9;1-9(2,3)6-4-10-7-8(13-6)12-5-11-7;1-7-5-6-8(11-10-7)9(2,3)4;1-7(2,3)5-4-10-6(8)9-5;1-5-8-9-6(10-5)7(2,3)4/h4-7,14-15H,8H2,1-3H3;5-6,8,14H,1,7H2,2-4H3;4-7,14H,13H2,1-3H3;2*4-8H,1-3H3;4-8,13H,1-3H3;4,6-8H,5H2,1-3H3;6H,1,5H2,2-4H3,(H,12,13);4-6H,1-3H3,(H3,12,13,14);6-7H,4-5H2,1-3H3,(H,12,13);4-8H,1-3H3;6-7H,4-5H2,1-3H3,(H,12,13);2*4-7H,1-3H3,(H,12,13);4-5,7H,6H2,1-3H3;4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4-6H,1-3H3,(H,11,12);4-5H,1-3H3,(H,10,11,12,13);5-6H,1-4H3;4H,1-3H3,(H2,8,9);1-4H3
InChIKeyHJJOCQACGNEFQK-UHFFFAOYSA-N
MW3906.57 g/mol
LogP57.20
Rot. Bonds1

About 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline

6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline (PubChem CID 158496713) has the molecular formula C237H315N45O3S2 and a molecular weight of 3906.57 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline
PubChem CID158496713
Molecular FormulaC237H315N45O3S2
Molecular Weight3906.57 g/mol
Exact Mass3903.53
IUPAC Name6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline
SMILESC=C1Cc2cc(C(C)(C)C)ccc2N1.C=C1Cc2nc(C(C)(C)C)cnc2N1.CC(C)(C)c1cc(N)c2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]cc(CO)c2c1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]nc(N)c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1cnc2[nH]ccc2n1.CC(C)(C)c1cnc2c(c1)CC=C2.CC(C)(C)c1cnc2c(c1)CCN2.CC(C)(C)c1cnc2c(c1)OCCN2.CC(C)(C)c1cnc2nc[nH]c2c1.CC(C)(C)c1cnc2nc[nH]c2n1.CC(C)(C)c1cnc2ncccc2c1.CC(C)(C)c1coc(N)n1.CC(C)(C)c1ncc2c(n1)CC=C2.Cc1ccc(C(C)(C)C)nn1.Cc1nnc(C(C)(C)C)s1
InChIInChI=1S/C13H17NO.C13H17N.C12H16N2.2C12H14N2.2C12H15N.2C11H15N3.C11H16N2O.C11H14N2.C11H16N2.3C11H14N2.C11H13NS.2C10H13N3.C9H12N4.C9H14N2.C7H12N2O.C7H12N2S/c1-13(2,3)10-4-5-12-11(6-10)9(8-15)7-14-12;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-12(2,3)9-6-8-4-5-14-11(8)10(13)7-9;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-7-9-5-4-6-13-11(9)14-8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-7-5-8-10(13-7)12-6-9(14-8)11(2,3)4;1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9;1-11(2,3)8-6-9-10(13-7-8)12-4-5-14-9;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;2*1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-10(2,3)7-4-8-9(11-5-7)13-6-12-8;1-10(2,3)8-6-12-9-7(13-8)4-5-11-9;1-9(2,3)6-4-10-7-8(13-6)12-5-11-7;1-7-5-6-8(11-10-7)9(2,3)4;1-7(2,3)5-4-10-6(8)9-5;1-5-8-9-6(10-5)7(2,3)4/h4-7,14-15H,8H2,1-3H3;5-6,8,14H,1,7H2,2-4H3;4-7,14H,13H2,1-3H3;2*4-8H,1-3H3;4-8,13H,1-3H3;4,6-8H,5H2,1-3H3;6H,1,5H2,2-4H3,(H,12,13);4-6H,1-3H3,(H3,12,13,14);6-7H,4-5H2,1-3H3,(H,12,13);4-8H,1-3H3;6-7H,4-5H2,1-3H3,(H,12,13);2*4-7H,1-3H3,(H,12,13);4-5,7H,6H2,1-3H3;4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4-6H,1-3H3,(H,11,12);4-5H,1-3H3,(H,10,11,12,13);5-6H,1-4H3;4H,1-3H3,(H2,8,9);1-4H3
InChIKeyHJJOCQACGNEFQK-UHFFFAOYSA-N
XLogP57.20
TPSA676.22 Ų
H-Bond Donors17
H-Bond Acceptors41
Rotatable Bonds1
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003906.57
LogP ≤ 557.20
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1041

Analyze 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,7-naphthyridine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;6-tert-butylquinoline;5-tert-butyl-4H-triazole;2-(2,2-dimethylpropyl)pyridine;1-propan-2-ylpyrrolidine;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide
CID 165077137
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;cinnoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydrobenzo[g]quinoline;1,2,3,4-tetrahydrocinnoline;1,2,3,4-tetrahydroquinazoline;bis(1,2,3,4-tetrahydroquinoline)
CID 157055905
1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
CID 157069338
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
bis(6-tert-butyl-1H-benzimidazole);bis(5-tert-butyl-1-benzofuran);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;5-tert-butylfuro[3,2-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indene;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157132695
benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine
CID 157135557
1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
CID 157193808
acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;9H-carbazole;cinnoline;1H-indazole;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;7H-purine;quinazoline;quinoline;quinoxaline
CID 157233920
4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine
CID 157264548
bis(6-tert-butyl-1H-benzimidazole);bis(5-tert-butyl-1-benzofuran);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyrimidine;5-tert-butyl-2H-indene;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157309593
2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]sulfanylphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]amino]benzonitrile;2-N-(1H-indazol-5-yl)-2-N-methyl-4-N-(1,3,4-oxadiazol-2-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;2-(N-[4-[(4-methyl-1,3-thiazol-5-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]anilino)ethanol;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]sulfanylphenyl]acetamide
CID 157318090
6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;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 157371967

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline?
The IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline (CID 158496713) is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline?
The canonical SMILES for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline is C=C1Cc2cc(C(C)(C)C)ccc2N1.C=C1Cc2nc(C(C)(C)C)cnc2N1.CC(C)(C)c1cc(N)c2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]cc(CO)c2c1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]nc(N)c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1cnc2[nH]ccc2n1.CC(C)(C)c1cnc2c(c1)CC=C2.CC(C)(C)c1cnc2c(c1)CCN2.CC(C)(C)c1cnc2c(c1)OCCN2.CC(C)(C)c1cnc2nc[nH]c2c1.CC(C)(C)c1cnc2nc[nH]c2n1.CC(C)(C)c1cnc2ncccc2c1.CC(C)(C)c1coc(N)n1.CC(C)(C)c1ncc2c(n1)CC=C2.Cc1ccc(C(C)(C)C)nn1.Cc1nnc(C(C)(C)C)s1.
What is the InChIKey of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline?
The InChIKey is HJJOCQACGNEFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C13H17N.C12H16N2.2C12H14N2.2C12H15N.2C11H15N3.C11H16N2O.C11H14N2.C11H16N2.3C11H14N2.C11H13NS.2C10H13N3.C9H12N4.C9H14N2.C7H12N2O.C7H12N2S/c1-13(2,3)10-4-5-12-11(6-10)9(8-15)7-14-12;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-12(2,3)9-6-8-4-5-14-11(8)10(13)7-9;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-7-9-5-4-6-13-11(9)14-8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-7-5-8-10(13-7)12-6-9(14-8)11(2,3)4;1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9;1-11(2,3)8-6-9-10(13-7-8)12-4-5-14-9;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;2*1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-10(2,3)7-4-8-9(11-5-7)13-6-12-8;1-10(2,3)8-6-12-9-7(13-8)4-5-11-9;1-9(2,3)6-4-10-7-8(13-6)12-5-11-7;1-7-5-6-8(11-10-7)9(2,3)4;1-7(2,3)5-4-10-6(8)9-5;1-5-8-9-6(10-5)7(2,3)4/h4-7,14-15H,8H2,1-3H3;5-6,8,14H,1,7H2,2-4H3;4-7,14H,13H2,1-3H3;2*4-8H,1-3H3;4-8,13H,1-3H3;4,6-8H,5H2,1-3H3;6H,1,5H2,2-4H3,(H,12,13);4-6H,1-3H3,(H3,12,13,14);6-7H,4-5H2,1-3H3,(H,12,13);4-8H,1-3H3;6-7H,4-5H2,1-3H3,(H,12,13);2*4-7H,1-3H3,(H,12,13);4-5,7H,6H2,1-3H3;4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4-6H,1-3H3,(H,11,12);4-5H,1-3H3,(H,10,11,12,13);5-6H,1-4H3;4H,1-3H3,(H2,8,9);1-4H3.
What are the key properties of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline?
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline has a molecular weight of 3906.57 g/mol, XLogP of 57.20, 1 rotatable bonds, 17 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;3-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-7H-cyclopenta[d]pyrimidine;7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-3H-imidazo[4,5-b]pyrazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indol-7-amine;5-tert-butyl-1H-indole;(5-tert-butyl-1H-indol-3-yl)methanol;5-tert-butyl-2-methylidene-1,3-dihydroindole;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-b]pyrazine;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,3-oxazol-2-amine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoxaline is sourced from PubChem (CID 158496713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).