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;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol

C165H208F4N22O7S3 — CID 158919380

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;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol

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;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 158919380) has the molecular formula C165H208F4N22O7S3 and a molecular weight of 2783.82 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;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol.

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;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
• PubChem CID: 158919380
• Molecular Formula: C165H208F4N22O7S3
• Molecular Weight: 2783.82 g/mol
• Exact Mass: 2781.57
• 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;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
• SMILES: CC(C)(C)C1CC1c1ccc2c(c1)CCO2.CC(C)(C)C1CCCc2nc(-c3ccc(F)cc3)sc21.CC(C)(C)C1CCc2ccccc2C1O.CC(C)(C)C1N=CN=C2N=NC=C21.CC(C)(C)c1cc(F)ccc1-c1nc2ncccc2[nH]1.CC(C)(C)c1ccnc(N2CCCc3ccccc32)c1.CC(C)(C)c1cnn2cc(C#N)ccc12.CC1=C(c2ccccc2)C(C(C)(C)C)NC1.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/C18H22N2.C17H20FNS.C16H16FN3.C15H21N.C15H20O.C14H18F2O2S.C14H20O.C13H17N3S.C13H17NO.C12H13N3.C9H12N4O2.C9H12N4/c1-18(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)13-5-4-6-14-15(13)20-16(19-14)11-7-9-12(18)10-8-11;1-16(2,3)12-9-10(17)6-7-11(12)14-19-13-5-4-8-18-15(13)20-14;1-11-10-16-14(15(2,3)4)13(11)12-8-6-5-7-9-12;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;1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;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;1-12(2,3)10-7-14-15-8-9(6-13)4-5-11(10)15;1-5-10-8(14-11-5)6-7(9(2,3)4)13-15-12-6;1-9(2,3)7-6-4-12-13-8(6)11-5-10-7/h4-5,7,9-11,13H,6,8,12H2,1-3H3;7-10,13H,4-6H2,1-3H3;4-9H,1-3H3,(H,18,19,20);5-9,14,16H,10H2,1-4H3;4-5,8,12-13H,6-7,9H2,1-3H3;6-8,10H,5H2,1-4H3;4-7,12-13,15H,8-9H2,1-3H3;6-7H,1-5H3;5-9H,1-4H3;4-5,7-8H,1-3H3;1-4H3;4-5,7H,1-3H3
• InChIKey: JHQJRJVCUKNVHN-UHFFFAOYSA-N
• XLogP: 41.36
• TPSA: 366.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 8
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2783.82
LogP ≤ 5	41.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

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;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol?

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;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 158919380) 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;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol.

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;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol?

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;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol is CC(C)(C)C1CC1c1ccc2c(c1)CCO2.CC(C)(C)C1CCCc2nc(-c3ccc(F)cc3)sc21.CC(C)(C)C1CCc2ccccc2C1O.CC(C)(C)C1N=CN=C2N=NC=C21.CC(C)(C)c1cc(F)ccc1-c1nc2ncccc2[nH]1.CC(C)(C)c1ccnc(N2CCCc3ccccc32)c1.CC(C)(C)c1cnn2cc(C#N)ccc12.CC1=C(c2ccccc2)C(C(C)(C)C)NC1.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;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol?

The InChIKey is JHQJRJVCUKNVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2.C17H20FNS.C16H16FN3.C15H21N.C15H20O.C14H18F2O2S.C14H20O.C13H17N3S.C13H17NO.C12H13N3.C9H12N4O2.C9H12N4/c1-18(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)13-5-4-6-14-15(13)20-16(19-14)11-7-9-12(18)10-8-11;1-16(2,3)12-9-10(17)6-7-11(12)14-19-13-5-4-8-18-15(13)20-14;1-11-10-16-14(15(2,3)4)13(11)12-8-6-5-7-9-12;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;1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;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;1-12(2,3)10-7-14-15-8-9(6-13)4-5-11(10)15;1-5-10-8(14-11-5)6-7(9(2,3)4)13-15-12-6;1-9(2,3)7-6-4-12-13-8(6)11-5-10-7/h4-5,7,9-11,13H,6,8,12H2,1-3H3;7-10,13H,4-6H2,1-3H3;4-9H,1-3H3,(H,18,19,20);5-9,14,16H,10H2,1-4H3;4-5,8,12-13H,6-7,9H2,1-3H3;6-8,10H,5H2,1-4H3;4-7,12-13,15H,8-9H2,1-3H3;6-7H,1-5H3;5-9H,1-4H3;4-5,7-8H,1-3H3;1-4H3;4-5,7H,1-3H3.

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;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol?

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;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 2783.82 g/mol, XLogP of 41.36, 8 rotatable bonds, 3 hydrogen bond donors, and 30 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;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 158919380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).