4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline

C208H248N26S7 — CID 157137499

IUPAC4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline
SMILESCC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2n[nH]nc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2nnsc2c1.CC(C)(C)c1ccc2nsnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1ccc2snnc2c1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2ncsc12.CC(C)(C)c1cccc2scnc12.CC(C)(C)c1cnc2ccccc2c1
InChIInChI=1S/7C13H15N.3C11H14N2.4C11H13NS.C10H13N3.3C10H12N2S/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;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)8-5-4-6-9-10(8)13-7-12-9;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)8-5-4-6-9-10(8)12-7-13-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8;1-10(2,3)7-4-5-9-8(6-7)11-12-13-9;1-10(2,3)7-4-5-8-9(6-7)13-12-11-8;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h7*4-9H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);3*4-6H,1-3H3
InChIKeyAJUGXHRZHBRUTQ-UHFFFAOYSA-N
MW3336.92 g/mol
LogP58.68
Rot. Bonds

About 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline

4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline (PubChem CID 157137499) has the molecular formula C208H248N26S7 and a molecular weight of 3336.92 g/mol. Its IUPAC name is 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline.

Molecular Properties

Compound Name4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline
PubChem CID157137499
Molecular FormulaC208H248N26S7
Molecular Weight3336.92 g/mol
Exact Mass3333.83
IUPAC Name4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline
SMILESCC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2n[nH]nc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2nnsc2c1.CC(C)(C)c1ccc2nsnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1ccc2snnc2c1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2ncsc12.CC(C)(C)c1cccc2scnc12.CC(C)(C)c1cnc2ccccc2c1
InChIInChI=1S/7C13H15N.3C11H14N2.4C11H13NS.C10H13N3.3C10H12N2S/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;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)8-5-4-6-9-10(8)13-7-12-9;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)8-5-4-6-9-10(8)12-7-13-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8;1-10(2,3)7-4-5-9-8(6-7)11-12-13-9;1-10(2,3)7-4-5-8-9(6-7)13-12-11-8;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h7*4-9H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);3*4-6H,1-3H3
InChIKeyAJUGXHRZHBRUTQ-UHFFFAOYSA-N
XLogP58.68
TPSA335.36 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003336.92
LogP ≤ 558.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Analyze 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline with MolForge

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Launch Full Analysis

Related Compounds

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
6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine
CID 159817365
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-(2-amino-1,3-benzothiazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-[(3R)-3-aminopyrrolidin-3-yl]phenyl]-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-[(3S)-3-aminopyrrolidin-3-yl]phenyl]-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclobutylmethyl)-3-imidazo[1,2-a]pyridin-3-yl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 160278369
8-chloro-6-methylimidazo[1,2-a]pyridine;7-chloro-5-methyl-1H-indazole;8-chloro-6-methylquinoline;3,5-dimethyl-2H-indazole;6,8-dimethylquinoline;2,4-dimethyl-6-(trifluoromethyl)pyridine;6-methyl-1,3-benzothiazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;5-methyl-1H-indazole;6-methylisoquinoline;6-methylquinolin-2-amine;bis(6-methylquinoline);6-methylquinoxaline;6-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;7-methyl-[1,2,4]triazolo[1,5-a]pyridine;tris(2,4,6-trimethylpyridine)
CID 161014562
3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 161101390
2-[8-(1H-imidazol-2-yl)-3-isoquinolin-1-yl-6-(7H-purin-2-yl)-4-quinolin-2-yl-5-(4H-quinolizin-1-yl)cinnolin-7-yl]-1,3-benzothiazole
CID 141046455
2-[3-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-5-(1H-benzotriazol-4-yl)-6-quinoxalin-2-ylphenyl]-1,3-benzothiazole
CID 141053295
2-[6-naphthalen-1-yl-2-phenyl-5-(7H-purin-2-yl)-6-pyrazin-2-yl-4-quinolin-2-yl-3-thiophen-2-yl-1-(2H-triazol-4-yl)cyclohexa-2,4-dien-1-yl]-1,3-benzothiazole
CID 141113817
7-(1-azabicyclo[2.2.2]octan-2-yl)-4-(1H-benzimidazol-2-yl)-5-isoquinolin-1-yl-6-quinolin-2-yl-2-(thiadiazolidin-2-yl)-1,3-benzothiazole
CID 141125714
2-[2-(2H-benzotriazol-4-yl)-3-(1H-imidazol-2-yl)-1-isoquinolin-1-yl-2-quinolin-2-yl-4H-quinolin-3-yl]-1,3-benzothiazole
CID 141175827
2-[7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-4-isoquinolin-1-yl-8-(7H-purin-2-yl)-4-pyridin-2-yl-1-quinolin-2-yl-3H-phthalazin-5-yl]-1,3-benzothiazole
CID 141196526
2-[5-(1H-benzimidazol-2-yl)-6-(1H-indazol-3-yl)-3-(7H-purin-2-yl)-2-(4H-quinolizin-1-yl)quinolin-4-yl]-1,3-benzothiazole
CID 141223231

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline?
The IUPAC name of 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline (CID 157137499) is 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline.
What is the SMILES notation for 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline?
The canonical SMILES for 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline is CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2n[nH]nc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2nnsc2c1.CC(C)(C)c1ccc2nsnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1ccc2snnc2c1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2ncsc12.CC(C)(C)c1cccc2scnc12.CC(C)(C)c1cnc2ccccc2c1.
What is the InChIKey of 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline?
The InChIKey is AJUGXHRZHBRUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/7C13H15N.3C11H14N2.4C11H13NS.C10H13N3.3C10H12N2S/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;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)8-5-4-6-9-10(8)13-7-12-9;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)8-5-4-6-9-10(8)12-7-13-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8;1-10(2,3)7-4-5-9-8(6-7)11-12-13-9;1-10(2,3)7-4-5-8-9(6-7)13-12-11-8;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h7*4-9H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);3*4-6H,1-3H3.
What are the key properties of 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline?
4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline has a molecular weight of 3336.92 g/mol, XLogP of 58.68, 0 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2,3-benzothiadiazole;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-1,2,3-benzothiadiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2H-benzotriazole;6-tert-butylimidazo[1,2-a]pyridine;3-tert-butylisoquinoline;6-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline is sourced from PubChem (CID 157137499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).