7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine

C145H194N18O6S2 — CID 161121796

About 7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine

7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 161121796) has the molecular formula C145H194N18O6S2 and a molecular weight of 2349.40 g/mol. Its IUPAC name is 7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

• Compound Name: 7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
• PubChem CID: 161121796
• Molecular Formula: C145H194N18O6S2
• Molecular Weight: 2349.40 g/mol
• Exact Mass: 2347.49
• IUPAC Name: 7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
• SMILES: C=C1Nc2c(cccc2C(C)(C)C)OC1C.CC(C)(C)c1[nH]ncc1-c1nnc2ncccn12.CC(C)(C)c1c(O)nc2sccn12.CC(C)(C)c1ccc2cnn(C3CCCCO3)c2c1.CC(C)(C)c1cccc(-c2ccc3n2CCC3)c1.CC(C)=C(C)c1nc2c(C(C)(C)C)cccc2n1C.CC1(C)Cc2cccc(C(C)(C)C)c2O1.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.CSc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.Cc1cccc(C(C)(C)C)c1-n1cncn1
• InChI: InChI=1S/C17H24N2.C17H21NS.C17H21N.C16H22N2O.C16H24O2.C14H19NO.C14H20O.C13H17N3.C12H14N6.C9H12N2OS/c1-11(2)12(3)16-18-15-13(17(4,5)6)9-8-10-14(15)19(16)7;1-12-9-10-13(19-5)11-14(12)15-7-6-8-16(18-15)17(2,3)4;1-17(2,3)14-7-4-6-13(12-14)16-10-9-15-8-5-11-18(15)16;1-16(2,3)13-8-7-12-11-17-18(14(12)10-13)15-6-4-5-9-19-15;1-10-7-12-14(16(3,4)5)11(2)9-18-15(12)13(8-10)17-6;1-9-10(2)16-12-8-6-7-11(13(12)15-9)14(3,4)5;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-10-6-5-7-11(13(2,3)4)12(10)16-9-14-8-15-16;1-12(2,3)9-8(7-14-15-9)10-16-17-11-13-5-4-6-18(10)11;1-9(2,3)6-7(12)10-8-11(6)4-5-13-8/h8-10H,1-7H3;6-11H,1-5H3;4,6-7,9-10,12H,5,8,11H2,1-3H3;7-8,10-11,15H,4-6,9H2,1-3H3;7-8,11,14H,9H2,1-6H3;6-8,10,15H,1H2,2-5H3;6-8H,9H2,1-5H3;5-9H,1-4H3;4-7H,1-3H3,(H,14,15);4-5,12H,1-3H3
• InChIKey: ULAWNFWEXHIJSU-UHFFFAOYSA-N
• XLogP: 36.83
• TPSA: 251.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 8
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2349.40
LogP ≤ 5	36.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?

The IUPAC name of 7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine (CID 161121796) is 7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine.

What is the SMILES notation for 7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?

The canonical SMILES for 7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine is C=C1Nc2c(cccc2C(C)(C)C)OC1C.CC(C)(C)c1[nH]ncc1-c1nnc2ncccn12.CC(C)(C)c1c(O)nc2sccn12.CC(C)(C)c1ccc2cnn(C3CCCCO3)c2c1.CC(C)(C)c1cccc(-c2ccc3n2CCC3)c1.CC(C)=C(C)c1nc2c(C(C)(C)C)cccc2n1C.CC1(C)Cc2cccc(C(C)(C)C)c2O1.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.CSc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.Cc1cccc(C(C)(C)C)c1-n1cncn1.

What is the InChIKey of 7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?

The InChIKey is ULAWNFWEXHIJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2.C17H21NS.C17H21N.C16H22N2O.C16H24O2.C14H19NO.C14H20O.C13H17N3.C12H14N6.C9H12N2OS/c1-11(2)12(3)16-18-15-13(17(4,5)6)9-8-10-14(15)19(16)7;1-12-9-10-13(19-5)11-14(12)15-7-6-8-16(18-15)17(2,3)4;1-17(2,3)14-7-4-6-13(12-14)16-10-9-15-8-5-11-18(15)16;1-16(2,3)13-8-7-12-11-17-18(14(12)10-13)15-6-4-5-9-19-15;1-10-7-12-14(16(3,4)5)11(2)9-18-15(12)13(8-10)17-6;1-9-10(2)16-12-8-6-7-11(13(12)15-9)14(3,4)5;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-10-6-5-7-11(13(2,3)4)12(10)16-9-14-8-15-16;1-12(2,3)9-8(7-14-15-9)10-16-17-11-13-5-4-6-18(10)11;1-9(2,3)6-7(12)10-8-11(6)4-5-13-8/h8-10H,1-7H3;6-11H,1-5H3;4,6-7,9-10,12H,5,8,11H2,1-3H3;7-8,10-11,15H,4-6,9H2,1-3H3;7-8,11,14H,9H2,1-6H3;6-8,10,15H,1H2,2-5H3;6-8H,9H2,1-5H3;5-9H,1-4H3;4-7H,1-3H3,(H,14,15);4-5,12H,1-3H3.

What are the key properties of 7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?

7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 2349.40 g/mol, XLogP of 36.83, 8 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 161121796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).