4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline

C237H302Cl2F2N28O9S — CID 158246934

IUPAC4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1c(Cl)ccc2cn[nH]c12.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc(Cl)cc2cn[nH]c12.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2oc(N)nc2c1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1CC(=O)N2.CC(C)(C)c1cccc2c1CCC(=O)N2.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1csc2ccccc12.CC(C)(C)c1nc(N)cc2ccccc12.CC1=NCc2cc(C(C)(C)C)ccc21.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cc2cn[nH]c2c(C(C)(C)C)c1C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1noc2cccc(C(C)(C)C)c12
InChIInChI=1S/C13H18N2.C13H16N2.C13H17NO.C13H17N.C13H19N.C12H16N2O.C12H16N2.2C12H15NO.C12H15N.C12H16O2.C12H14S.2C11H13ClN2.C11H12F2O2.C11H14N2O.4C11H14N2/c1-8-6-10-7-14-15-12(10)11(9(8)2)13(3,4)5;1-13(2,3)12-10-7-5-4-6-9(10)8-11(14)15-12;1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-9-12-6-5-11(13(2,3)4)7-10(12)8-14-9;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)11-8-7-13-14-9(8)5-6-10(11)15-4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-8-11-9(12(2,3)4)6-5-7-10(11)14-13-8;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-5-8(12)4-7-6-13-14-10(7)9;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9;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)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h6-7H,1-5H3,(H,14,15);4-8H,1-3H3,(H2,14,15);4-6H,7-8H2,1-3H3,(H,14,15);5-7H,8H2,1-4H3;4,7-8,14H,5-6,9H2,1-3H3;5-7H,1-4H3,(H,13,14);5-7H,1-4H3,(H,13,14);5-7H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);4-8,13H,1-3H3;4-6H,7-8H2,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3,(H,13,14);4-6H,1-3H3;4-6H,1-3H3,(H2,12,13);4*4-7H,1-3H3,(H,12,13)
InChIKeyGGFRMFHTJDSALP-UHFFFAOYSA-N
MW3828.18 g/mol
LogP62.96
Rot. Bonds1

About 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline (PubChem CID 158246934) has the molecular formula C237H302Cl2F2N28O9S and a molecular weight of 3828.18 g/mol. Its IUPAC name is 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
PubChem CID158246934
Molecular FormulaC237H302Cl2F2N28O9S
Molecular Weight3828.18 g/mol
Exact Mass3824.31
IUPAC Name4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1c(Cl)ccc2cn[nH]c12.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc(Cl)cc2cn[nH]c12.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2oc(N)nc2c1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1CC(=O)N2.CC(C)(C)c1cccc2c1CCC(=O)N2.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1csc2ccccc12.CC(C)(C)c1nc(N)cc2ccccc12.CC1=NCc2cc(C(C)(C)C)ccc21.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cc2cn[nH]c2c(C(C)(C)C)c1C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1noc2cccc(C(C)(C)C)c12
InChIInChI=1S/C13H18N2.C13H16N2.C13H17NO.C13H17N.C13H19N.C12H16N2O.C12H16N2.2C12H15NO.C12H15N.C12H16O2.C12H14S.2C11H13ClN2.C11H12F2O2.C11H14N2O.4C11H14N2/c1-8-6-10-7-14-15-12(10)11(9(8)2)13(3,4)5;1-13(2,3)12-10-7-5-4-6-9(10)8-11(14)15-12;1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-9-12-6-5-11(13(2,3)4)7-10(12)8-14-9;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)11-8-7-13-14-9(8)5-6-10(11)15-4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-8-11-9(12(2,3)4)6-5-7-10(11)14-13-8;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-5-8(12)4-7-6-13-14-10(7)9;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9;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)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h6-7H,1-5H3,(H,14,15);4-8H,1-3H3,(H2,14,15);4-6H,7-8H2,1-3H3,(H,14,15);5-7H,8H2,1-4H3;4,7-8,14H,5-6,9H2,1-3H3;5-7H,1-4H3,(H,13,14);5-7H,1-4H3,(H,13,14);5-7H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);4-8,13H,1-3H3;4-6H,7-8H2,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3,(H,13,14);4-6H,1-3H3;4-6H,1-3H3,(H2,12,13);4*4-7H,1-3H3,(H,12,13)
InChIKeyGGFRMFHTJDSALP-UHFFFAOYSA-N
XLogP62.96
TPSA519.64 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds1
Heavy Atoms279
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003828.18
LogP ≤ 562.96
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

Analyze 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline 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;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
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
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;5-tert-butyl-2-methyl-1,3-benzoxazole;8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158027328
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158512126
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;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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;6-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;3-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 159447135
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;7-tert-butyl-6-chloro-1H-indazole;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-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;bis(3-tert-butyl-1-methylindazole);7-tert-butyl-6-methyl-1H-indazole;8-tert-butyl-1H-quinolin-2-one;bis(5-tert-butyl-1,2,3,4-tetrahydroquinoline)
CID 159806774
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-6-chloro-1H-indazole;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-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1-methylindazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 159982689
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
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-6-chloro-1H-indazole;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);7-tert-butyl-6-methyl-1H-indazole;8-tert-butyl-1H-quinolin-2-one;bis(5-tert-butyl-1,2,3,4-tetrahydroquinoline)
CID 160722416

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline (CID 158246934) is 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline is CC(C)(C)c1c(Cl)ccc2cn[nH]c12.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc(Cl)cc2cn[nH]c12.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2oc(N)nc2c1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1CC(=O)N2.CC(C)(C)c1cccc2c1CCC(=O)N2.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1csc2ccccc12.CC(C)(C)c1nc(N)cc2ccccc12.CC1=NCc2cc(C(C)(C)C)ccc21.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cc2cn[nH]c2c(C(C)(C)C)c1C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1noc2cccc(C(C)(C)C)c12.
What is the InChIKey of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is GGFRMFHTJDSALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.C13H16N2.C13H17NO.C13H17N.C13H19N.C12H16N2O.C12H16N2.2C12H15NO.C12H15N.C12H16O2.C12H14S.2C11H13ClN2.C11H12F2O2.C11H14N2O.4C11H14N2/c1-8-6-10-7-14-15-12(10)11(9(8)2)13(3,4)5;1-13(2,3)12-10-7-5-4-6-9(10)8-11(14)15-12;1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-9-12-6-5-11(13(2,3)4)7-10(12)8-14-9;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)11-8-7-13-14-9(8)5-6-10(11)15-4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-8-11-9(12(2,3)4)6-5-7-10(11)14-13-8;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-5-8(12)4-7-6-13-14-10(7)9;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9;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)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h6-7H,1-5H3,(H,14,15);4-8H,1-3H3,(H2,14,15);4-6H,7-8H2,1-3H3,(H,14,15);5-7H,8H2,1-4H3;4,7-8,14H,5-6,9H2,1-3H3;5-7H,1-4H3,(H,13,14);5-7H,1-4H3,(H,13,14);5-7H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);4-8,13H,1-3H3;4-6H,7-8H2,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3,(H,13,14);4-6H,1-3H3;4-6H,1-3H3,(H2,12,13);4*4-7H,1-3H3,(H,12,13).
What are the key properties of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline?
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 3828.18 g/mol, XLogP of 62.96, 1 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;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-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 158246934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).