6-tert-butyl-1H-benzimidazol-2-amine;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-4-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-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine

C163H190Cl10N20O2S3 — CID 159469416

About 6-tert-butyl-1H-benzimidazol-2-amine;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-4-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-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine

6-tert-butyl-1H-benzimidazol-2-amine;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-4-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-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine (PubChem CID 159469416) has the molecular formula C163H190Cl10N20O2S3 and a molecular weight of 2912.18 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazol-2-amine;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-4-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-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine.

Molecular Properties

• Compound Name: 6-tert-butyl-1H-benzimidazol-2-amine;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-4-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-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine
• PubChem CID: 159469416
• Molecular Formula: C163H190Cl10N20O2S3
• Molecular Weight: 2912.18 g/mol
• Exact Mass: 2905.14
• IUPAC Name: 6-tert-butyl-1H-benzimidazol-2-amine;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-4-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-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine
• 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)cccc2s1.CC(C)(C)c1ccc2c(N)nccc2c1.CC(C)(C)c1ccc2nc(N)[nH]c2c1.CC(C)(C)c1ccc2ncc(Cl)n2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1cnc2c(c1)C(Cl)=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1nc2c(Cl)cccc2o1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2cccc(Cl)c2o1.CC(C)(C)c1nc2cccc(Cl)c2s1
• InChI: InChI=1S/C13H15ClN2.C13H14ClN.C13H16N2.C12H14ClN.C12H13ClS.C12H15N.2C11H13ClN2.2C11H12ClNO.2C11H12ClNS.C11H15N3.C11H14N2/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;1-12(2,3)11-7-8-9(13)5-4-6-10(8)14-11;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)8-4-5-10-13-6-9(12)14(10)7-8;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)10-13-8-6-4-5-7(12)9(8)14-10;1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9/h4-7H,1-3H3,(H2,15,16);4-8H,1-3H3;4-8H,1-3H3,(H2,14,15);4,6-7H,5H2,1-3H3;4-7H,1-3H3;4-5,7-8H,6H2,1-3H3;4-6H,1-3H3,(H,13,14);4-7H,1-3H3;4*4-6H,1-3H3;4-6H,1-3H3,(H3,12,13,14);4-8H,1-3H3
• InChIKey: LVPNHUZJYBCPKF-UHFFFAOYSA-N
• XLogP: 50.31
• TPSA: 312.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2912.18
LogP ≤ 5	50.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of 6-tert-butyl-1H-benzimidazol-2-amine;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-4-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-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine (CID 159469416) is 6-tert-butyl-1H-benzimidazol-2-amine;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-4-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-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine.

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

The canonical SMILES for 6-tert-butyl-1H-benzimidazol-2-amine;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-4-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-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine 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)cccc2s1.CC(C)(C)c1ccc2c(N)nccc2c1.CC(C)(C)c1ccc2nc(N)[nH]c2c1.CC(C)(C)c1ccc2ncc(Cl)n2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1cnc2c(c1)C(Cl)=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1nc2c(Cl)cccc2o1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2cccc(Cl)c2o1.CC(C)(C)c1nc2cccc(Cl)c2s1.

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

The InChIKey is LVPNHUZJYBCPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2.C13H14ClN.C13H16N2.C12H14ClN.C12H13ClS.C12H15N.2C11H13ClN2.2C11H12ClNO.2C11H12ClNS.C11H15N3.C11H14N2/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;1-12(2,3)11-7-8-9(13)5-4-6-10(8)14-11;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)8-4-5-10-13-6-9(12)14(10)7-8;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)10-13-8-6-4-5-7(12)9(8)14-10;1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9/h4-7H,1-3H3,(H2,15,16);4-8H,1-3H3;4-8H,1-3H3,(H2,14,15);4,6-7H,5H2,1-3H3;4-7H,1-3H3;4-5,7-8H,6H2,1-3H3;4-6H,1-3H3,(H,13,14);4-7H,1-3H3;4*4-6H,1-3H3;4-6H,1-3H3,(H3,12,13,14);4-8H,1-3H3.

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

6-tert-butyl-1H-benzimidazol-2-amine;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-4-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-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine has a molecular weight of 2912.18 g/mol, XLogP of 50.31, 0 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-1H-benzimidazol-2-amine;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-4-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-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine is sourced from PubChem (CID 159469416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).