6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylisoquinolin-1-amine;6-tert-butylthieno[3,2-b]pyridine

C209H242Cl10N20O5S6 — CID 159065192

About 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylisoquinolin-1-amine;6-tert-butylthieno[3,2-b]pyridine

6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylisoquinolin-1-amine;6-tert-butylthieno[3,2-b]pyridine (PubChem CID 159065192) has the molecular formula C209H242Cl10N20O5S6 and a molecular weight of 3661.30 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylisoquinolin-1-amine;6-tert-butylthieno[3,2-b]pyridine.

Molecular Properties

• Compound Name: 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylisoquinolin-1-amine;6-tert-butylthieno[3,2-b]pyridine
• PubChem CID: 159065192
• Molecular Formula: C209H242Cl10N20O5S6
• Molecular Weight: 3661.30 g/mol
• Exact Mass: 3653.45
• IUPAC Name: 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylisoquinolin-1-amine;6-tert-butylthieno[3,2-b]pyridine
• SMILES: CC(C)(C)c1cc(Cl)c2c(N)nccc2c1.CC(C)(C)c1cc(Cl)c2cnccc2c1.CC(C)(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)(C)c1cc2c(Cl)cccc2o1.CC(C)(C)c1cc2c(Cl)cccc2s1.CC(C)(C)c1cc2cccc(Cl)c2s1.CC(C)(C)c1ccc2c(N)nccc2c1.CC(C)(C)c1ccc2nc(N)[nH]c2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cnc2c(c1)C(Cl)=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2ccsc2c1.CC(C)(C)c1nc2c(Cl)cccc2o1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2cccc(Cl)c2o1
• InChI: InChI=1S/C13H15ClN2.C13H14ClN.C13H16N2.C12H14ClN.C12H13ClO.2C12H13ClS.C12H15N.C11H13ClN2.2C11H12ClNO.C11H12ClNS.C11H15N3.2C11H13NO.3C11H13NS/c1-13(2,3)9-6-8-4-5-16-12(15)11(8)10(14)7-9;1-13(2,3)10-6-9-4-5-15-8-11(9)12(14)7-10;1-13(2,3)10-4-5-11-9(8-10)6-7-15-12(11)14;1-12(2,3)8-6-9-10(13)4-5-11(9)14-7-8;2*1-12(2,3)11-7-8-9(13)5-4-6-10(8)14-11;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-11(2,3)7-4-8(12)10-9(5-7)13-6-14-10;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-6-10-9(12-7-8)4-5-13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h4-7H,1-3H3,(H2,15,16);4-8H,1-3H3;4-8H,1-3H3,(H2,14,15);4,6-7H,5H2,1-3H3;3*4-7H,1-3H3;4-5,7-8H,6H2,1-3H3;4-6H,1-3H3,(H,13,14);3*4-6H,1-3H3;4-6H,1-3H3,(H3,12,13,14);5*4-7H,1-3H3
• InChIKey: JYYSQPHENXWCTN-UHFFFAOYSA-N
• XLogP: 66.41
• TPSA: 368.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3661.30
LogP ≤ 5	66.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylisoquinolin-1-amine;6-tert-butylthieno[3,2-b]pyridine?

The IUPAC name of 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylisoquinolin-1-amine;6-tert-butylthieno[3,2-b]pyridine (CID 159065192) is 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylisoquinolin-1-amine;6-tert-butylthieno[3,2-b]pyridine.

What is the SMILES notation for 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylisoquinolin-1-amine;6-tert-butylthieno[3,2-b]pyridine?

The canonical SMILES for 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylisoquinolin-1-amine;6-tert-butylthieno[3,2-b]pyridine is CC(C)(C)c1cc(Cl)c2c(N)nccc2c1.CC(C)(C)c1cc(Cl)c2cnccc2c1.CC(C)(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)(C)c1cc2c(Cl)cccc2o1.CC(C)(C)c1cc2c(Cl)cccc2s1.CC(C)(C)c1cc2cccc(Cl)c2s1.CC(C)(C)c1ccc2c(N)nccc2c1.CC(C)(C)c1ccc2nc(N)[nH]c2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cnc2c(c1)C(Cl)=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2ccsc2c1.CC(C)(C)c1nc2c(Cl)cccc2o1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2cccc(Cl)c2o1.

What is the InChIKey of 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylisoquinolin-1-amine;6-tert-butylthieno[3,2-b]pyridine?

The InChIKey is JYYSQPHENXWCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2.C13H14ClN.C13H16N2.C12H14ClN.C12H13ClO.2C12H13ClS.C12H15N.C11H13ClN2.2C11H12ClNO.C11H12ClNS.C11H15N3.2C11H13NO.3C11H13NS/c1-13(2,3)9-6-8-4-5-16-12(15)11(8)10(14)7-9;1-13(2,3)10-6-9-4-5-15-8-11(9)12(14)7-10;1-13(2,3)10-4-5-11-9(8-10)6-7-15-12(11)14;1-12(2,3)8-6-9-10(13)4-5-11(9)14-7-8;2*1-12(2,3)11-7-8-9(13)5-4-6-10(8)14-11;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-11(2,3)7-4-8(12)10-9(5-7)13-6-14-10;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-6-10-9(12-7-8)4-5-13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h4-7H,1-3H3,(H2,15,16);4-8H,1-3H3;4-8H,1-3H3,(H2,14,15);4,6-7H,5H2,1-3H3;3*4-7H,1-3H3;4-5,7-8H,6H2,1-3H3;4-6H,1-3H3,(H,13,14);3*4-6H,1-3H3;4-6H,1-3H3,(H3,12,13,14);5*4-7H,1-3H3.

What are the key properties of 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylisoquinolin-1-amine;6-tert-butylthieno[3,2-b]pyridine?

6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylisoquinolin-1-amine;6-tert-butylthieno[3,2-b]pyridine has a molecular weight of 3661.30 g/mol, XLogP of 66.41, 0 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylisoquinolin-1-amine;6-tert-butylthieno[3,2-b]pyridine is sourced from PubChem (CID 159065192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).