6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline

C144H159N9O4S2 — CID 159053639

About 6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline

6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 159053639) has the molecular formula C144H159N9O4S2 and a molecular weight of 2144.05 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

• Compound Name: 6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline
• PubChem CID: 159053639
• Molecular Formula: C144H159N9O4S2
• Molecular Weight: 2144.05 g/mol
• Exact Mass: 2142.20
• IUPAC Name: 6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline
• SMILES: CC(C)(C)c1ccc(-c2ccc3c(c2)CCCN3)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)OCC=N3)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)OCCN3)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)OCCO3)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)SCC=N3)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)SCCN3)cc1.CC(C)(C)c1ccc(-c2ccc3nc[nH]c3c2)cc1.CC(C)(C)c1ccc(-c2ccc3nccnc3c2)cc1
• InChI: InChI=1S/C19H23N.C18H18N2.C18H21NO.C18H19NO.C18H21NS.C18H19NS.C18H20O2.C17H18N2/c1-19(2,3)17-9-6-14(7-10-17)15-8-11-18-16(13-15)5-4-12-20-18;6*1-18(2,3)15-7-4-13(5-8-15)14-6-9-16-17(12-14)20-11-10-19-16;1-17(2,3)14-7-4-12(5-8-14)13-6-9-15-16(10-13)19-11-18-15/h6-11,13,20H,4-5,12H2,1-3H3;4-12H,1-3H3;4-9,12,19H,10-11H2,1-3H3;4-10,12H,11H2,1-3H3;4-9,12,19H,10-11H2,1-3H3;4-10,12H,11H2,1-3H3;4-9,12H,10-11H2,1-3H3;4-11H,1-3H3,(H,18,19)
• InChIKey: JXOXQNWLVILFBM-UHFFFAOYSA-N
• XLogP: 38.38
• TPSA: 152.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2144.05
LogP ≤ 5	38.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline?

The IUPAC name of 6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline (CID 159053639) is 6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline.

What is the SMILES notation for 6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline?

The canonical SMILES for 6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline is CC(C)(C)c1ccc(-c2ccc3c(c2)CCCN3)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)OCC=N3)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)OCCN3)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)OCCO3)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)SCC=N3)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)SCCN3)cc1.CC(C)(C)c1ccc(-c2ccc3nc[nH]c3c2)cc1.CC(C)(C)c1ccc(-c2ccc3nccnc3c2)cc1.

What is the InChIKey of 6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline?

The InChIKey is JXOXQNWLVILFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N.C18H18N2.C18H21NO.C18H19NO.C18H21NS.C18H19NS.C18H20O2.C17H18N2/c1-19(2,3)17-9-6-14(7-10-17)15-8-11-18-16(13-15)5-4-12-20-18;6*1-18(2,3)15-7-4-13(5-8-15)14-6-9-16-17(12-14)20-11-10-19-16;1-17(2,3)14-7-4-12(5-8-14)13-6-9-15-16(10-13)19-11-18-15/h6-11,13,20H,4-5,12H2,1-3H3;4-12H,1-3H3;4-9,12,19H,10-11H2,1-3H3;4-10,12H,11H2,1-3H3;4-9,12,19H,10-11H2,1-3H3;4-10,12H,11H2,1-3H3;4-9,12H,10-11H2,1-3H3;4-11H,1-3H3,(H,18,19).

What are the key properties of 6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline?

6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 2144.05 g/mol, XLogP of 38.38, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 159053639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).