5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;methane

C139H196F4N18O6S2 — CID 158114901

About 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;methane

5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;methane (PubChem CID 158114901) has the molecular formula C139H196F4N18O6S2 and a molecular weight of 2355.34 g/mol. Its IUPAC name is 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;methane.

Molecular Properties

• Compound Name: 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;methane
• PubChem CID: 158114901
• Molecular Formula: C139H196F4N18O6S2
• Molecular Weight: 2355.34 g/mol
• Exact Mass: 2353.50
• IUPAC Name: 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;methane
• SMILES: C.C.C.C.C.C.CC(C)(C)C1CC1c1ccc2c(c1)CCO2.CC(C)(C)c1cc(F)ccc1-c1nc2ncccc2[nH]1.CC(C)(C)c1ccc(F)c(-c2nnc3n2CCCCC3)c1.CC(C)(C)c1ccnc(N2CCCC3CCCCC32)c1.CC(C)(C)c1ccnc(N2CCCc3ccccc32)c1.CC1CC(C(C)(C)C)c2cc(F)c(F)cc2S1(=O)=O.COc1ccn2ccc(C(C)(C)C)c2c1.Cc1nc(-c2cnc(C)s2)cc(C(C)(C)C)n1.Cc1noc(-c2nonc2C(C)(C)C)n1
• InChI: InChI=1S/C18H28N2.C18H22N2.C17H22FN3.C16H16FN3.C15H20O.C14H18F2O2S.C13H17N3S.C13H17NO.C9H12N4O2.6CH4/c2*1-18(2,3)15-10-11-19-17(13-15)20-12-6-8-14-7-4-5-9-16(14)20;1-17(2,3)12-8-9-14(18)13(11-12)16-20-19-15-7-5-4-6-10-21(15)16;1-16(2,3)12-9-10(17)6-7-11(12)14-19-13-5-4-8-18-15(13)20-14;1-15(2,3)13-9-12(13)10-4-5-14-11(8-10)6-7-16-14;1-8-5-10(14(2,3)4)9-6-11(15)12(16)7-13(9)19(8,17)18;1-8-15-10(11-7-14-9(2)17-11)6-12(16-8)13(3,4)5;1-13(2,3)11-6-8-14-7-5-10(15-4)9-12(11)14;1-5-10-8(14-11-5)6-7(9(2,3)4)13-15-12-6;;;;;;/h10-11,13-14,16H,4-9,12H2,1-3H3;4-5,7,9-11,13H,6,8,12H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;4-9H,1-3H3,(H,18,19,20);4-5,8,12-13H,6-7,9H2,1-3H3;6-8,10H,5H2,1-4H3;6-7H,1-5H3;5-9H,1-4H3;1-4H3;6*1H4
• InChIKey: FQWNLTZURMGSOZ-UHFFFAOYSA-N
• XLogP: 36.90
• TPSA: 278.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2355.34
LogP ≤ 5	36.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;methane?

The IUPAC name of 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;methane (CID 158114901) is 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;methane.

What is the SMILES notation for 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;methane?

The canonical SMILES for 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;methane is C.C.C.C.C.C.CC(C)(C)C1CC1c1ccc2c(c1)CCO2.CC(C)(C)c1cc(F)ccc1-c1nc2ncccc2[nH]1.CC(C)(C)c1ccc(F)c(-c2nnc3n2CCCCC3)c1.CC(C)(C)c1ccnc(N2CCCC3CCCCC32)c1.CC(C)(C)c1ccnc(N2CCCc3ccccc32)c1.CC1CC(C(C)(C)C)c2cc(F)c(F)cc2S1(=O)=O.COc1ccn2ccc(C(C)(C)C)c2c1.Cc1nc(-c2cnc(C)s2)cc(C(C)(C)C)n1.Cc1noc(-c2nonc2C(C)(C)C)n1.

What is the InChIKey of 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;methane?

The InChIKey is FQWNLTZURMGSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2.C18H22N2.C17H22FN3.C16H16FN3.C15H20O.C14H18F2O2S.C13H17N3S.C13H17NO.C9H12N4O2.6CH4/c2*1-18(2,3)15-10-11-19-17(13-15)20-12-6-8-14-7-4-5-9-16(14)20;1-17(2,3)12-8-9-14(18)13(11-12)16-20-19-15-7-5-4-6-10-21(15)16;1-16(2,3)12-9-10(17)6-7-11(12)14-19-13-5-4-8-18-15(13)20-14;1-15(2,3)13-9-12(13)10-4-5-14-11(8-10)6-7-16-14;1-8-5-10(14(2,3)4)9-6-11(15)12(16)7-13(9)19(8,17)18;1-8-15-10(11-7-14-9(2)17-11)6-12(16-8)13(3,4)5;1-13(2,3)11-6-8-14-7-5-10(15-4)9-12(11)14;1-5-10-8(14-11-5)6-7(9(2,3)4)13-15-12-6;;;;;;/h10-11,13-14,16H,4-9,12H2,1-3H3;4-5,7,9-11,13H,6,8,12H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;4-9H,1-3H3,(H,18,19,20);4-5,8,12-13H,6-7,9H2,1-3H3;6-8,10H,5H2,1-4H3;6-7H,1-5H3;5-9H,1-4H3;1-4H3;6*1H4.

What are the key properties of 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;methane?

5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;methane has a molecular weight of 2355.34 g/mol, XLogP of 36.90, 8 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;methane is sourced from PubChem (CID 158114901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).