4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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;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;5-tert-butyl-1,2,3,4-tetrahydroquinoline

C178H225ClF3N19O7S — CID 161482828

About 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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;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;5-tert-butyl-1,2,3,4-tetrahydroquinoline

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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;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;5-tert-butyl-1,2,3,4-tetrahydroquinoline (PubChem CID 161482828) has the molecular formula C178H225ClF3N19O7S and a molecular weight of 2867.40 g/mol. Its IUPAC name is 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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;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;5-tert-butyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

• Compound Name: 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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;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;5-tert-butyl-1,2,3,4-tetrahydroquinoline
• PubChem CID: 161482828
• Molecular Formula: C178H225ClF3N19O7S
• Molecular Weight: 2867.40 g/mol
• Exact Mass: 2864.72
• IUPAC Name: 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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;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;5-tert-butyl-1,2,3,4-tetrahydroquinoline
• SMILES: C=C1C=Cc2cccc(C(C)(C)C)c2N1.CC(C)(C)c1c(Cl)ccc2cn[nH]c12.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1ccc2cn[nH]c2c1.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.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1nc2cc(C(C)(C)C)ccc2o1.Cn1nc(C(C)(C)C)c2ccccc21
• InChI: InChI=1S/C14H17N.C13H17NO.C13H19N.2C12H16N2.2C12H15NO.C12H16O2.C12H14S.C11H13ClN2.C11H12F2O2.C11H13FN2.3C11H14N2/c1-10-8-9-11-6-5-7-12(13(11)15-10)14(2,3)4;1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;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)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/h5-9,15H,1H2,2-4H3;4-6H,7-8H2,1-3H3,(H,14,15);4,7-8,14H,5-6,9H2,1-3H3;5-7H,1-4H3,(H,13,14);5-8H,1-4H3;5-7H,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);3*4-7H,1-3H3,(H,12,13)
• InChIKey: WEOYMUCRMRORRK-UHFFFAOYSA-N
• XLogP: 47.45
• TPSA: 335.11 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2867.40
LogP ≤ 5	47.45
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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;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;5-tert-butyl-1,2,3,4-tetrahydroquinoline?

The IUPAC name of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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;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;5-tert-butyl-1,2,3,4-tetrahydroquinoline (CID 161482828) is 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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;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;5-tert-butyl-1,2,3,4-tetrahydroquinoline.

What is the SMILES notation for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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;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;5-tert-butyl-1,2,3,4-tetrahydroquinoline?

The canonical SMILES for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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;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;5-tert-butyl-1,2,3,4-tetrahydroquinoline is C=C1C=Cc2cccc(C(C)(C)C)c2N1.CC(C)(C)c1c(Cl)ccc2cn[nH]c12.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1ccc2cn[nH]c2c1.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.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1nc2cc(C(C)(C)C)ccc2o1.Cn1nc(C(C)(C)C)c2ccccc21.

What is the InChIKey of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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;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;5-tert-butyl-1,2,3,4-tetrahydroquinoline?

The InChIKey is WEOYMUCRMRORRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.C13H17NO.C13H19N.2C12H16N2.2C12H15NO.C12H16O2.C12H14S.C11H13ClN2.C11H12F2O2.C11H13FN2.3C11H14N2/c1-10-8-9-11-6-5-7-12(13(11)15-10)14(2,3)4;1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;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)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/h5-9,15H,1H2,2-4H3;4-6H,7-8H2,1-3H3,(H,14,15);4,7-8,14H,5-6,9H2,1-3H3;5-7H,1-4H3,(H,13,14);5-8H,1-4H3;5-7H,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);3*4-7H,1-3H3,(H,12,13).

What are the key properties of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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;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;5-tert-butyl-1,2,3,4-tetrahydroquinoline?

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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;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;5-tert-butyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 2867.40 g/mol, XLogP of 47.45, 0 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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;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;5-tert-butyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 161482828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).