6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate

C197H264N18O9S — CID 159157723

IUPAC6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate
SMILESC.CC(C)(C)c1ccc2[nH]cc(CN3CCOCC3)c2c1.CC(C)(C)c1ccc2c(NC3CC3)ncnc2c1.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2sccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cnc2[nH]c(=O)oc2c1.CN(C)C(=O)c1cn2cc(C(C)(C)C)ccc2n1.CN(C)Cc1c[nH]c2ccc(C(C)(C)C)cc12.CN1CCC(c2cc3cc(C(C)(C)C)ccc3[nH]2)CC1.COC(=O)c1n[nH]c2cc(C(C)(C)C)ccc12.Cc1c(C(C)(C)C)ccc2c1C(C)(C)CCC2(C)C
InChIInChI=1S/C19H30.C18H26N2.C17H24N2O.C15H19N3.C15H22N2.C14H19N3O.2C14H16.C13H16N2O2.C12H16O2.C12H16O.C12H14S.C11H14N2.C10H12N2O2.CH4/c1-13-14(17(2,3)4)9-10-15-16(13)19(7,8)12-11-18(15,5)6;1-18(2,3)15-5-6-16-14(11-15)12-17(19-16)13-7-9-20(4)10-8-13;1-17(2,3)14-4-5-16-15(10-14)13(11-18-16)12-19-6-8-20-9-7-19;1-15(2,3)10-4-7-12-13(8-10)16-9-17-14(12)18-11-5-6-11;1-15(2,3)12-6-7-14-13(8-12)11(9-16-14)10-17(4)5;1-14(2,3)10-6-7-12-15-11(9-17(12)8-10)13(18)16(4)5;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)8-5-6-9-10(7-8)14-15-11(9)12(16)17-4;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)6-4-7-8(11-5-6)12-9(13)14-7;/h9-10H,11-12H2,1-8H3;5-6,11-13,19H,7-10H2,1-4H3;4-5,10-11,18H,6-9,12H2,1-3H3;4,7-9,11H,5-6H2,1-3H3,(H,16,17,18);6-9,16H,10H2,1-5H3;6-9H,1-5H3;2*4-10H,1-3H3;5-7H,1-4H3,(H,14,15);4-5,8H,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-5H,1-3H3,(H,11,12,13);1H4
InChIKeyKKCGBBQPIHOYCX-UHFFFAOYSA-N
MW3060.46 g/mol
LogP48.68
Rot. Bonds9

About 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate

6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate (PubChem CID 159157723) has the molecular formula C197H264N18O9S and a molecular weight of 3060.46 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate
PubChem CID159157723
Molecular FormulaC197H264N18O9S
Molecular Weight3060.46 g/mol
Exact Mass3058.05
IUPAC Name6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate
SMILESC.CC(C)(C)c1ccc2[nH]cc(CN3CCOCC3)c2c1.CC(C)(C)c1ccc2c(NC3CC3)ncnc2c1.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2sccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cnc2[nH]c(=O)oc2c1.CN(C)C(=O)c1cn2cc(C(C)(C)C)ccc2n1.CN(C)Cc1c[nH]c2ccc(C(C)(C)C)cc12.CN1CCC(c2cc3cc(C(C)(C)C)ccc3[nH]2)CC1.COC(=O)c1n[nH]c2cc(C(C)(C)C)ccc12.Cc1c(C(C)(C)C)ccc2c1C(C)(C)CCC2(C)C
InChIInChI=1S/C19H30.C18H26N2.C17H24N2O.C15H19N3.C15H22N2.C14H19N3O.2C14H16.C13H16N2O2.C12H16O2.C12H16O.C12H14S.C11H14N2.C10H12N2O2.CH4/c1-13-14(17(2,3)4)9-10-15-16(13)19(7,8)12-11-18(15,5)6;1-18(2,3)15-5-6-16-14(11-15)12-17(19-16)13-7-9-20(4)10-8-13;1-17(2,3)14-4-5-16-15(10-14)13(11-18-16)12-19-6-8-20-9-7-19;1-15(2,3)10-4-7-12-13(8-10)16-9-17-14(12)18-11-5-6-11;1-15(2,3)12-6-7-14-13(8-12)11(9-16-14)10-17(4)5;1-14(2,3)10-6-7-12-15-11(9-17(12)8-10)13(18)16(4)5;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)8-5-6-9-10(7-8)14-15-11(9)12(16)17-4;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)6-4-7-8(11-5-6)12-9(13)14-7;/h9-10H,11-12H2,1-8H3;5-6,11-13,19H,7-10H2,1-4H3;4-5,10-11,18H,6-9,12H2,1-3H3;4,7-9,11H,5-6H2,1-3H3,(H,16,17,18);6-9,16H,10H2,1-5H3;6-9H,1-5H3;2*4-10H,1-3H3;5-7H,1-4H3,(H,14,15);4-5,8H,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-5H,1-3H3,(H,11,12,13);1H4
InChIKeyKKCGBBQPIHOYCX-UHFFFAOYSA-N
XLogP48.68
TPSA311.98 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003060.46
LogP ≤ 548.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate with MolForge

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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;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157243093
3-ethyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;3-methyl-5-(2-methylpropyl)-1,2-benzothiazole;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;5-(2-methylpropyl)-1-benzothiophene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;7-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-one;5-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one;6-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine
CID 157377929
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;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline
CID 157427896
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
3-ethyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;3-methyl-5-(2-methylpropyl)-1,2-benzothiazole;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;5-(2-methylpropyl)-1-benzothiophene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one;6-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine
CID 158067006
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158641726
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
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-1,2-benzoxazol-3-amine;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;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 160093919
CID 160796703
CID 160796703
3-ethyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;methane;3-methyl-5-(2-methylpropyl)-1,2-benzothiazole;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;5-(2-methylpropyl)-1-benzothiophene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;7-(2-methylpropyl)-3,4-dihydro-1H-quinazolin-2-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one;6-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine
CID 161196778
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 161505078
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-6-fluoro-3-methyl-2H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 161514862

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate?
The IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate (CID 159157723) is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate?
The canonical SMILES for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate is C.CC(C)(C)c1ccc2[nH]cc(CN3CCOCC3)c2c1.CC(C)(C)c1ccc2c(NC3CC3)ncnc2c1.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2sccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cnc2[nH]c(=O)oc2c1.CN(C)C(=O)c1cn2cc(C(C)(C)C)ccc2n1.CN(C)Cc1c[nH]c2ccc(C(C)(C)C)cc12.CN1CCC(c2cc3cc(C(C)(C)C)ccc3[nH]2)CC1.COC(=O)c1n[nH]c2cc(C(C)(C)C)ccc12.Cc1c(C(C)(C)C)ccc2c1C(C)(C)CCC2(C)C.
What is the InChIKey of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate?
The InChIKey is KKCGBBQPIHOYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30.C18H26N2.C17H24N2O.C15H19N3.C15H22N2.C14H19N3O.2C14H16.C13H16N2O2.C12H16O2.C12H16O.C12H14S.C11H14N2.C10H12N2O2.CH4/c1-13-14(17(2,3)4)9-10-15-16(13)19(7,8)12-11-18(15,5)6;1-18(2,3)15-5-6-16-14(11-15)12-17(19-16)13-7-9-20(4)10-8-13;1-17(2,3)14-4-5-16-15(10-14)13(11-18-16)12-19-6-8-20-9-7-19;1-15(2,3)10-4-7-12-13(8-10)16-9-17-14(12)18-11-5-6-11;1-15(2,3)12-6-7-14-13(8-12)11(9-16-14)10-17(4)5;1-14(2,3)10-6-7-12-15-11(9-17(12)8-10)13(18)16(4)5;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)8-5-6-9-10(7-8)14-15-11(9)12(16)17-4;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)6-4-7-8(11-5-6)12-9(13)14-7;/h9-10H,11-12H2,1-8H3;5-6,11-13,19H,7-10H2,1-4H3;4-5,10-11,18H,6-9,12H2,1-3H3;4,7-9,11H,5-6H2,1-3H3,(H,16,17,18);6-9,16H,10H2,1-5H3;6-9H,1-5H3;2*4-10H,1-3H3;5-7H,1-4H3,(H,14,15);4-5,8H,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-5H,1-3H3,(H,11,12,13);1H4.
What are the key properties of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate?
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate has a molecular weight of 3060.46 g/mol, XLogP of 48.68, 9 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzothiophene;7-tert-butyl-N-cyclopropylquinazolin-4-amine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;1-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylmethanamine;4-[(5-tert-butyl-1H-indol-3-yl)methyl]morpholine;5-tert-butyl-2-(1-methylpiperidin-4-yl)-1H-indole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;6-tert-butyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;6-tert-butyl-1,1,4,4,5-pentamethyl-2,3-dihydronaphthalene;methane;methyl 6-tert-butyl-1H-indazole-3-carboxylate is sourced from PubChem (CID 159157723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).