2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole;2-(4-methylphenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole

C154H199F3N24O8S3 — CID 158548144

About 2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole;2-(4-methylphenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole

2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole;2-(4-methylphenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole (PubChem CID 158548144) has the molecular formula C154H199F3N24O8S3 and a molecular weight of 2667.64 g/mol. Its IUPAC name is 2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole;2-(4-methylphenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole;2-(4-methylphenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
• PubChem CID: 158548144
• Molecular Formula: C154H199F3N24O8S3
• Molecular Weight: 2667.64 g/mol
• Exact Mass: 2665.50
• IUPAC Name: 2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole;2-(4-methylphenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
• SMILES: CC(C)(C)C1CCc2ccccc2C1O.CC(C)(C)C1N=CN=C2C=NC=C21.CC(C)(C)c1ccn(C2CCOC2=O)n1.CC(C)(C)c1nc2ccc(F)c(F)c2n1C1CCCC1.CC(C)c1nccc(-c2cc3c(F)cccc3[nH]2)n1.CCc1ccn2ccc(C(C)(C)C)c2c1.CS(=O)c1ccc2c(C(C)(C)C)ccnc2c1.Cc1ccc(-c2nc3c(s2)C(C(C)C)CCC3)cc1.Cc1ccc2c(C(C)(C)C)cnn2c1.Cc1nc(-c2cnc(C)s2)cc(C(C)(C)C)n1.Cc1noc(-c2nonc2C(C)(C)C)n1.Cc1noc(C(C)(C)C)c1C(N)=O
• InChI: InChI=1S/C17H21NS.C16H20F2N2.C15H14FN3.C14H17NOS.C14H19N.C14H20O.C13H17N3S.C12H16N2.C11H16N2O2.C10H13N3.C9H12N4O2.C9H14N2O2/c1-11(2)14-5-4-6-15-16(14)19-17(18-15)13-9-7-12(3)8-10-13;1-16(2,3)15-19-12-9-8-11(17)13(18)14(12)20(15)10-6-4-5-7-10;1-9(2)15-17-7-6-13(19-15)14-8-10-11(16)4-3-5-12(10)18-14;1-14(2,3)12-7-8-15-13-9-10(17(4)16)5-6-11(12)13;1-5-11-6-8-15-9-7-12(13(15)10-11)14(2,3)4;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;1-9-5-6-11-10(12(2,3)4)7-13-14(11)8-9;1-11(2,3)9-4-6-13(12-9)8-5-7-15-10(8)14;1-10(2,3)9-7-4-11-5-8(7)12-6-13-9;1-5-10-8(14-11-5)6-7(9(2,3)4)13-15-12-6;1-5-6(8(10)12)7(13-11-5)9(2,3)4/h7-11,14H,4-6H2,1-3H3;8-10H,4-7H2,1-3H3;3-9,18H,1-2H3;5-9H,1-4H3;6-10H,5H2,1-4H3;4-7,12-13,15H,8-9H2,1-3H3;6-7H,1-5H3;5-8H,1-4H3;4,6,8H,5,7H2,1-3H3;4-6,9H,1-3H3;1-4H3;1-4H3,(H2,10,12)
• InChIKey: HPJRGFHKXBVQDL-UHFFFAOYSA-N
• XLogP: 37.29
• TPSA: 411.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 11
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2667.64
LogP ≤ 5	37.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole;2-(4-methylphenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?

The IUPAC name of 2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole;2-(4-methylphenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole (CID 158548144) is 2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole;2-(4-methylphenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole.

What is the SMILES notation for 2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole;2-(4-methylphenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?

The canonical SMILES for 2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole;2-(4-methylphenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole is CC(C)(C)C1CCc2ccccc2C1O.CC(C)(C)C1N=CN=C2C=NC=C21.CC(C)(C)c1ccn(C2CCOC2=O)n1.CC(C)(C)c1nc2ccc(F)c(F)c2n1C1CCCC1.CC(C)c1nccc(-c2cc3c(F)cccc3[nH]2)n1.CCc1ccn2ccc(C(C)(C)C)c2c1.CS(=O)c1ccc2c(C(C)(C)C)ccnc2c1.Cc1ccc(-c2nc3c(s2)C(C(C)C)CCC3)cc1.Cc1ccc2c(C(C)(C)C)cnn2c1.Cc1nc(-c2cnc(C)s2)cc(C(C)(C)C)n1.Cc1noc(-c2nonc2C(C)(C)C)n1.Cc1noc(C(C)(C)C)c1C(N)=O.

What is the InChIKey of 2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole;2-(4-methylphenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?

The InChIKey is HPJRGFHKXBVQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS.C16H20F2N2.C15H14FN3.C14H17NOS.C14H19N.C14H20O.C13H17N3S.C12H16N2.C11H16N2O2.C10H13N3.C9H12N4O2.C9H14N2O2/c1-11(2)14-5-4-6-15-16(14)19-17(18-15)13-9-7-12(3)8-10-13;1-16(2,3)15-19-12-9-8-11(17)13(18)14(12)20(15)10-6-4-5-7-10;1-9(2)15-17-7-6-13(19-15)14-8-10-11(16)4-3-5-12(10)18-14;1-14(2,3)12-7-8-15-13-9-10(17(4)16)5-6-11(12)13;1-5-11-6-8-15-9-7-12(13(15)10-11)14(2,3)4;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;1-9-5-6-11-10(12(2,3)4)7-13-14(11)8-9;1-11(2,3)9-4-6-13(12-9)8-5-7-15-10(8)14;1-10(2,3)9-7-4-11-5-8(7)12-6-13-9;1-5-10-8(14-11-5)6-7(9(2,3)4)13-15-12-6;1-5-6(8(10)12)7(13-11-5)9(2,3)4/h7-11,14H,4-6H2,1-3H3;8-10H,4-7H2,1-3H3;3-9,18H,1-2H3;5-9H,1-4H3;6-10H,5H2,1-4H3;4-7,12-13,15H,8-9H2,1-3H3;6-7H,1-5H3;5-8H,1-4H3;4,6,8H,5,7H2,1-3H3;4-6,9H,1-3H3;1-4H3;1-4H3,(H2,10,12).

What are the key properties of 2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole;2-(4-methylphenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?

2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole;2-(4-methylphenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole has a molecular weight of 2667.64 g/mol, XLogP of 37.29, 11 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;4-fluoro-2-(2-propan-2-ylpyrimidin-4-yl)-1H-indole;2-(4-methylphenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole is sourced from PubChem (CID 158548144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).