6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline

C260H332N30O16 — CID 161159708

IUPAC6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline
SMILESCC(C)(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)(C)c1ccc2[nH]c(=O)oc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1ccc2c(c1)C(=O)OC2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CNC2=O.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)OCC(=O)N2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2n[nH]nc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2oc(=O)[nH]c2c1.CN1C(=O)CCc2cc(C(C)(C)C)ccc21.Cc1[nH]nc2cc(C(C)(C)C)ccc12.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C14H19NO.C13H17NO.C13H17N.3C12H16N2.C12H14N2.C12H15NO2.3C12H15NO.C12H17N.C12H15N.C12H14O2.C12H16O2.C11H14N2O.3C11H14N2.2C11H13NO2.C10H13N3/c1-14(2,3)11-6-7-12-10(9-11)5-8-13(16)15(12)4;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-8-10-6-5-9(12(2,3)4)7-11(10)14-13-8;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-12(2,3)9-4-5-10-8(6-9)7-13-11(10)14;1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-12(2,3)9-5-4-8-7-13-11(14)10(8)6-9;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)9-5-4-8-7-14-11(13)10(8)6-9;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-11(2,3)7-4-5-8-9(6-7)13-10(14)12-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)7-4-5-9-8(6-7)12-10(13)14-9;1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h6-7,9H,5,8H2,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);5-9H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,13,14);4-8H,1-3H3;4-6H,7H2,1-3H3,(H,13,14);3*4-6H,7H2,1-3H3,(H,13,14);4-5,8,13H,6-7H2,1-3H3;4-8,13H,1-3H3;4-6H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-6H,1-3H3,(H2,12,13,14);3*4-7H,1-3H3,(H,12,13);2*4-6H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13)
InChIKeyUPTNBZJBZFSFFM-UHFFFAOYSA-N
MW4133.71 g/mol
LogP59.98
Rot. Bonds

About 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline

6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline (PubChem CID 161159708) has the molecular formula C260H332N30O16 and a molecular weight of 4133.71 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline
PubChem CID161159708
Molecular FormulaC260H332N30O16
Molecular Weight4133.71 g/mol
Exact Mass4130.61
IUPAC Name6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline
SMILESCC(C)(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)(C)c1ccc2[nH]c(=O)oc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1ccc2c(c1)C(=O)OC2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CNC2=O.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)OCC(=O)N2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2n[nH]nc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2oc(=O)[nH]c2c1.CN1C(=O)CCc2cc(C(C)(C)C)ccc21.Cc1[nH]nc2cc(C(C)(C)C)ccc12.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C14H19NO.C13H17NO.C13H17N.3C12H16N2.C12H14N2.C12H15NO2.3C12H15NO.C12H17N.C12H15N.C12H14O2.C12H16O2.C11H14N2O.3C11H14N2.2C11H13NO2.C10H13N3/c1-14(2,3)11-6-7-12-10(9-11)5-8-13(16)15(12)4;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-8-10-6-5-9(12(2,3)4)7-11(10)14-13-8;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-12(2,3)9-4-5-10-8(6-9)7-13-11(10)14;1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-12(2,3)9-5-4-8-7-13-11(14)10(8)6-9;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)9-5-4-8-7-14-11(13)10(8)6-9;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-11(2,3)7-4-5-8-9(6-7)13-10(14)12-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)7-4-5-9-8(6-7)12-10(13)14-9;1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h6-7,9H,5,8H2,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);5-9H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,13,14);4-8H,1-3H3;4-6H,7H2,1-3H3,(H,13,14);3*4-6H,7H2,1-3H3,(H,13,14);4-5,8,13H,6-7H2,1-3H3;4-8,13H,1-3H3;4-6H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-6H,1-3H3,(H2,12,13,14);3*4-7H,1-3H3,(H,12,13);2*4-6H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13)
InChIKeyUPTNBZJBZFSFFM-UHFFFAOYSA-N
XLogP59.98
TPSA610.91 Ų
H-Bond Donors16
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms306
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004133.71
LogP ≤ 559.98
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1030

Analyze 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157437972
5-[3-(2,3-difluorophenyl)-2-oxo-1,3-benzoxazol-7-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 158237162
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;bis(3-tert-butyl-1-methylindazole);tris(5-tert-butyl-1,2,3,4-tetrahydroquinoline)
CID 158766104
CID 159263885
CID 159263885
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-propan-2-ylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 160869634
CID 157165445
CID 157165445
6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157231809
4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole
CID 157300756
7-tert-butyl-4H-chromen-3-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butylisoindole-1,3-dione;8-tert-butyl-3-methylidene-4H-1,4-benzoxazine;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-prop-2-enylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157338514
1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-7-(4-propan-2-yl-2-pyridinyl)isoquinolin-1-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;7-(4-propan-2-yl-2-pyridinyl)-2H-isoquinolin-1-one;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one
CID 157342185
bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane
CID 157355895
1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 157383618

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline?
The IUPAC name of 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline (CID 161159708) is 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline?
The canonical SMILES for 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline is CC(C)(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)(C)c1ccc2[nH]c(=O)oc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1ccc2c(c1)C(=O)OC2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CNC2=O.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)OCC(=O)N2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2n[nH]nc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2oc(=O)[nH]c2c1.CN1C(=O)CCc2cc(C(C)(C)C)ccc21.Cc1[nH]nc2cc(C(C)(C)C)ccc12.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2cc(C(C)(C)C)ccc21.
What is the InChIKey of 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline?
The InChIKey is UPTNBZJBZFSFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C13H17NO.C13H17N.3C12H16N2.C12H14N2.C12H15NO2.3C12H15NO.C12H17N.C12H15N.C12H14O2.C12H16O2.C11H14N2O.3C11H14N2.2C11H13NO2.C10H13N3/c1-14(2,3)11-6-7-12-10(9-11)5-8-13(16)15(12)4;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-8-10-6-5-9(12(2,3)4)7-11(10)14-13-8;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-12(2,3)9-4-5-10-8(6-9)7-13-11(10)14;1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-12(2,3)9-5-4-8-7-13-11(14)10(8)6-9;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)9-5-4-8-7-14-11(13)10(8)6-9;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-11(2,3)7-4-5-8-9(6-7)13-10(14)12-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)7-4-5-9-8(6-7)12-10(13)14-9;1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h6-7,9H,5,8H2,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);5-9H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,13,14);4-8H,1-3H3;4-6H,7H2,1-3H3,(H,13,14);3*4-6H,7H2,1-3H3,(H,13,14);4-5,8,13H,6-7H2,1-3H3;4-8,13H,1-3H3;4-6H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-6H,1-3H3,(H2,12,13,14);3*4-7H,1-3H3,(H,12,13);2*4-6H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13).
What are the key properties of 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline?
6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline has a molecular weight of 4133.71 g/mol, XLogP of 59.98, 0 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-2-benzofuran-1-one;5-tert-butyl-2H-benzotriazole;7-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-1-methylindole;6-tert-butylquinoxaline is sourced from PubChem (CID 161159708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).