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)

C235H301ClF3N29O10S — CID 159806774

About 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)

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) (PubChem CID 159806774) has the molecular formula C235H301ClF3N29O10S and a molecular weight of 3816.70 g/mol. Its IUPAC name is 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).

Molecular Properties

• Compound Name: 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)
• PubChem CID: 159806774
• Molecular Formula: C235H301ClF3N29O10S
• Molecular Weight: 3816.70 g/mol
• Exact Mass: 3813.33
• IUPAC Name: 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)
• SMILES: CC(C)(C)c1c(Cl)ccc2cn[nH]c12.CC(C)(C)c1c(F)ccc2cn[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)c1cccc2c1CCCN2.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1cccc2ccc(=O)[nH]c12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2onc(N)c12.CC(C)(C)c1csc2ccccc12.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cn1nc(C(C)(C)C)c2ccccc21.Cn1nc(C(C)(C)C)c2ccccc21
• InChI: InChI=1S/C13H17NO.C13H15NO.2C13H19N.C12H16N2O.3C12H16N2.C12H15NO.C12H16O2.C12H14S.C11H13ClN2.C11H12F2O2.C11H13FN2.2C11H14N2O.4C11H14N2/c1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-13(2,3)10-6-4-5-9-7-8-11(15)14-12(9)10;2*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;2*1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;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)9-8(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)9-8(12)5-4-7-6-13-14-10(7)9;1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9;1-11(2,3)7-5-4-6-8-9(7)10(12)13-14-8;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)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h4-6H,7-8H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);2*4,7-8,14H,5-6,9H2,1-3H3;5-7H,1-4H3,(H,13,14);5-7H,1-4H3,(H,13,14);2*5-8H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);4-6H,7-8H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3,(H,13,14);4-6H,1-3H3;4-6H,1-3H3,(H,13,14);2*4-6H,1-3H3,(H2,12,13);4*4-7H,1-3H3,(H,12,13)
• InChIKey: NKMPFPIUZICMDA-UHFFFAOYSA-N
• XLogP: 60.27
• TPSA: 530.45 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 29
• Rotatable Bonds: 1
• Heavy Atoms: 279
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3816.70
LogP ≤ 5	60.27
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 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)?

The IUPAC name of 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) is 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).

What is the SMILES notation for 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)?

The canonical SMILES for 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) is CC(C)(C)c1c(Cl)ccc2cn[nH]c12.CC(C)(C)c1c(F)ccc2cn[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)c1cccc2c1CCCN2.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1cccc2ccc(=O)[nH]c12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2onc(N)c12.CC(C)(C)c1csc2ccccc12.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cn1nc(C(C)(C)C)c2ccccc21.Cn1nc(C(C)(C)C)c2ccccc21.

What is the InChIKey of 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)?

The InChIKey is NKMPFPIUZICMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C13H15NO.2C13H19N.C12H16N2O.3C12H16N2.C12H15NO.C12H16O2.C12H14S.C11H13ClN2.C11H12F2O2.C11H13FN2.2C11H14N2O.4C11H14N2/c1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-13(2,3)10-6-4-5-9-7-8-11(15)14-12(9)10;2*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;2*1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;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)9-8(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)9-8(12)5-4-7-6-13-14-10(7)9;1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9;1-11(2,3)7-5-4-6-8-9(7)10(12)13-14-8;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)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h4-6H,7-8H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);2*4,7-8,14H,5-6,9H2,1-3H3;5-7H,1-4H3,(H,13,14);5-7H,1-4H3,(H,13,14);2*5-8H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);4-6H,7-8H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3,(H,13,14);4-6H,1-3H3;4-6H,1-3H3,(H,13,14);2*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;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)?

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) has a molecular weight of 3816.70 g/mol, XLogP of 60.27, 1 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 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) is sourced from PubChem (CID 159806774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).