2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine

C174H211N23O5S6 — CID 160640029

IUPAC2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine
SMILESCC(C)(C)C1=Cc2cnccc2C1.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1cc2cnccc2o1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1noc2ccccc12.CC(C)(C)c1nsc2ccccc12.CC(C)(C)c1occ2ncncc12.CC(C)(C)c1onc2ccccc12.CC(C)(C)c1scc2ccncc12.CC(C)(C)c1scc2ncncc12.CC(C)(C)c1snc2ccccc12.CC(C)(C)n1cc2ccccc2n1.CC(C)(C)n1cc2cncnc2c1
InChIInChI=1S/C12H15N.3C11H14N2.4C11H13NO.5C11H13NS.C10H13N3.C10H12N2O.C10H12N2S/c1-12(2,3)11-6-9-4-5-13-8-10(9)7-11;1-11(2,3)13-8-9-6-4-5-7-10(9)12-13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-9-6-12-5-4-8(9)7-13-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-10(2,3)13-5-8-4-11-7-12-9(8)6-13;2*1-10(2,3)9-7-4-11-6-12-8(7)5-13-9/h4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);10*4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyRJBALFBDHJVXNQ-UHFFFAOYSA-N
MW2897.16 g/mol
LogP49.74
Rot. Bonds

About 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine (PubChem CID 160640029) has the molecular formula C174H211N23O5S6 and a molecular weight of 2897.16 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine
PubChem CID160640029
Molecular FormulaC174H211N23O5S6
Molecular Weight2897.16 g/mol
Exact Mass2894.53
IUPAC Name2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine
SMILESCC(C)(C)C1=Cc2cnccc2C1.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1cc2cnccc2o1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1noc2ccccc12.CC(C)(C)c1nsc2ccccc12.CC(C)(C)c1occ2ncncc12.CC(C)(C)c1onc2ccccc12.CC(C)(C)c1scc2ccncc12.CC(C)(C)c1scc2ncncc12.CC(C)(C)c1snc2ccccc12.CC(C)(C)n1cc2ccccc2n1.CC(C)(C)n1cc2cncnc2c1
InChIInChI=1S/C12H15N.3C11H14N2.4C11H13NO.5C11H13NS.C10H13N3.C10H12N2O.C10H12N2S/c1-12(2,3)11-6-9-4-5-13-8-10(9)7-11;1-11(2,3)13-8-9-6-4-5-7-10(9)12-13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-9-6-12-5-4-8(9)7-13-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-10(2,3)13-5-8-4-11-7-12-9(8)6-13;2*1-10(2,3)9-7-4-11-6-12-8(7)5-13-9/h4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);10*4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyRJBALFBDHJVXNQ-UHFFFAOYSA-N
XLogP49.74
TPSA352.05 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002897.16
LogP ≤ 549.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Analyze 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-tert-butyl-5H-cyclopenta[c]pyridazine;5-tert-butylfuro[3,4-b]pyrazine;6-tert-butylfuro[2,3-b]pyrazine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;3-tert-butyl-[1,2]oxazolo[5,4-c]pyridine;2-tert-butylpyrazolo[4,3-c]pyridine;bis(3-tert-butyl-2H-pyrazolo[3,4-c]pyridine);6-tert-butylpyrrolo[3,4-b]pyrazine;3-tert-butyl-[1,2]thiazolo[3,4-c]pyridine;3-tert-butyl-[1,2]thiazolo[4,3-c]pyridine;3-tert-butyl-[1,2]thiazolo[5,4-c]pyridine;5-tert-butylthieno[3,4-b]pyrazine;6-tert-butylthieno[2,3-b]pyrazine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine
CID 161144609
1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 161406414
1-tert-butyl-2-benzofuran;3-tert-butyl-1-benzofuran;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;1-tert-butylindolizine;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;3-tert-butyl-1-methylindole;1-tert-butyl-2-methylisoindole
CID 158741376
1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine
CID 158953604
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole
CID 167547125
tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 158043073
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine
CID 163534084
1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine
CID 159741600
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine
CID 161370701
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine
CID 161179797
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;bis(1-tert-butylcyclopenta-1,3-diene);tert-butylcyclopentane;3-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene
CID 165104121
2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;5-tert-butylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 158084383

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine?
The IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine (CID 160640029) is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine is CC(C)(C)C1=Cc2cnccc2C1.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1cc2cnccc2o1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1noc2ccccc12.CC(C)(C)c1nsc2ccccc12.CC(C)(C)c1occ2ncncc12.CC(C)(C)c1onc2ccccc12.CC(C)(C)c1scc2ccncc12.CC(C)(C)c1scc2ncncc12.CC(C)(C)c1snc2ccccc12.CC(C)(C)n1cc2ccccc2n1.CC(C)(C)n1cc2cncnc2c1.
What is the InChIKey of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine?
The InChIKey is RJBALFBDHJVXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.3C11H14N2.4C11H13NO.5C11H13NS.C10H13N3.C10H12N2O.C10H12N2S/c1-12(2,3)11-6-9-4-5-13-8-10(9)7-11;1-11(2,3)13-8-9-6-4-5-7-10(9)12-13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-9-6-12-5-4-8(9)7-13-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-10(2,3)13-5-8-4-11-7-12-9(8)6-13;2*1-10(2,3)9-7-4-11-6-12-8(7)5-13-9/h4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);10*4-7H,1-3H3;2*4-6H,1-3H3.
What are the key properties of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine?
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine has a molecular weight of 2897.16 g/mol, XLogP of 49.74, 0 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine is sourced from PubChem (CID 160640029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).