6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole

C229H304N34O2S5 — CID 159085359

IUPAC6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole
SMILESCC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2cc[nH]c2c1.CC(C)(C)c1cncc2[nH]ccc12.CC(C)(C)c1cncnc1.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1csc2ccncc12.CC(C)(C)c1csc2ncccc12.CC(C)c1ccon1.[H]/N=C/C=C(\C=N\[H])C(C)(C)C
InChIInChI=1S/3C12H15N.8C11H14N2.4C11H13NS.2C9H13N.C8H12N2.C8H14N2.C7H12N2.C7H11NO.C7H11NS.C6H9NO/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)8-6-10-9(13-7-8)4-5-12-10;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-6-12-7-10-8(9)4-5-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)9-7-13-10-4-5-12-6-8(9)10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7(6-10)4-5-9;1-7(2,3)6-4-8-9-5-6;2*1-7(2,3)6-4-5-8-9-6;1-5(2)6-3-4-8-7-6/h3*4-8,13H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-7,12H,1-3H3;4-7H,1-3H3,(H,12,13);4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-8H,1-3H3;4*4-7H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;4-6,9-10H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3/b;;;;;;;;;;;;;;;;;;7-4+,9-5+,10-6+;;;;
InChIKeyKBJNZBRNQNIVKL-GYTMJWOYSA-N
MW3725.52 g/mol
LogP63.68
Rot. Bonds3

About 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole

6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole (PubChem CID 159085359) has the molecular formula C229H304N34O2S5 and a molecular weight of 3725.52 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole
PubChem CID159085359
Molecular FormulaC229H304N34O2S5
Molecular Weight3725.52 g/mol
Exact Mass3722.33
IUPAC Name6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole
SMILESCC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2cc[nH]c2c1.CC(C)(C)c1cncc2[nH]ccc12.CC(C)(C)c1cncnc1.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1csc2ccncc12.CC(C)(C)c1csc2ncccc12.CC(C)c1ccon1.[H]/N=C/C=C(\C=N\[H])C(C)(C)C
InChIInChI=1S/3C12H15N.8C11H14N2.4C11H13NS.2C9H13N.C8H12N2.C8H14N2.C7H12N2.C7H11NO.C7H11NS.C6H9NO/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)8-6-10-9(13-7-8)4-5-12-10;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-6-12-7-10-8(9)4-5-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)9-7-13-10-4-5-12-6-8(9)10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7(6-10)4-5-9;1-7(2,3)6-4-8-9-5-6;2*1-7(2,3)6-4-5-8-9-6;1-5(2)6-3-4-8-7-6/h3*4-8,13H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-7,12H,1-3H3;4-7H,1-3H3,(H,12,13);4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-8H,1-3H3;4*4-7H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;4-6,9-10H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3/b;;;;;;;;;;;;;;;;;;7-4+,9-5+,10-6+;;;;
InChIKeyKBJNZBRNQNIVKL-GYTMJWOYSA-N
XLogP63.68
TPSA487.12 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds3
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003725.52
LogP ≤ 563.68
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

CID 167564541
CID 167564541
3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole
CID 140977162
3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 157117987
3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine)
CID 157130056
ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine
CID 157276666
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane
CID 157279739
3-methyl-5H-cyclopenta[b]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;6-methyl-1H-indole;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;bis(6-methyl-1H-pyrrolo[3,4-c]pyridine);2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157361556
5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene
CID 157388119
5-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-isoindol-1-amine;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157434733
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;6-tert-butylquinoxaline;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole
CID 157524323
2,6-di(propan-2-yl)-1H-benzimidazole;2,5-di(propan-2-yl)-1,3-benzothiazole;1,4-di(propan-2-yl)cyclohexane;2,6-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)quinoline;bis(1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylbenzene);1-[(E)-3-methylbut-1-enyl]-4-propan-2-ylnaphthalene;5-[(E)-3-methylbut-1-enyl]-2-propan-2-ylpyridine;1-(3-methylbutyl)-4-propan-2-ylbenzene;1-(3-methylbut-1-ynyl)-4-propan-2-ylbenzene;5-(3-methylbut-1-ynyl)-3-propan-2-yl-1,2-oxazole;2-(3-methylbut-1-ynyl)-5-propan-2-ylpyrazine;2-(3-methylbut-1-ynyl)-5-propan-2-ylpyridine;5-(3-methylbut-1-ynyl)-8-propan-2-ylquinoline;2-propan-2-yl-5-(6-propan-2-ylnaphthalen-2-yl)pyrimidine;2-propan-2-yl-5-(3-propan-2-ylphenyl)thiophene;4-propan-2-yl-2-(5-propan-2-ylthiophen-2-yl)-1,3-thiazole
CID 157613187
1,2-di(propan-2-yl)indole;bis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;4,5-di(propan-2-yl)thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-2,5-di(propan-2-yl)triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-2,3-dihydropyridine;3-propan-2-yl-2H-indazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylquinoline;5-propan-2-yl-1H-1,2,4-triazole
CID 157647988

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole?
The IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole (CID 159085359) is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole is CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2cc[nH]c2c1.CC(C)(C)c1cncc2[nH]ccc12.CC(C)(C)c1cncnc1.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1csc2ccncc12.CC(C)(C)c1csc2ncccc12.CC(C)c1ccon1.[H]/N=C/C=C(\C=N\[H])C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole?
The InChIKey is KBJNZBRNQNIVKL-GYTMJWOYSA-N. The full InChI is InChI=1S/3C12H15N.8C11H14N2.4C11H13NS.2C9H13N.C8H12N2.C8H14N2.C7H12N2.C7H11NO.C7H11NS.C6H9NO/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)8-6-10-9(13-7-8)4-5-12-10;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-6-12-7-10-8(9)4-5-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)9-7-13-10-4-5-12-6-8(9)10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7(6-10)4-5-9;1-7(2,3)6-4-8-9-5-6;2*1-7(2,3)6-4-5-8-9-6;1-5(2)6-3-4-8-7-6/h3*4-8,13H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-7,12H,1-3H3;4-7H,1-3H3,(H,12,13);4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-8H,1-3H3;4*4-7H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;4-6,9-10H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3/b;;;;;;;;;;;;;;;;;;7-4+,9-5+,10-6+;;;;.
What are the key properties of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole?
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole has a molecular weight of 3725.52 g/mol, XLogP of 63.68, 3 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 159085359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).