2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine

C102H123Cl2N15OS5 — CID 158209987

About 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 158209987) has the molecular formula C102H123Cl2N15OS5 and a molecular weight of 1806.45 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine
• PubChem CID: 158209987
• Molecular Formula: C102H123Cl2N15OS5
• Molecular Weight: 1806.45 g/mol
• Exact Mass: 1803.80
• IUPAC Name: 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine
• SMILES: CC(C)(C)c1nc2c(Cl)cccc2[nH]1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nnc(-c2ccccc2)o1.CC(C)(C)c1nnc(-c2ccccc2)s1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2sc(C(C)(C)C)nc2c1
• InChI: InChI=1S/C12H14N2O.C12H14N2S.C12H16N2.C12H15NS.C11H13ClN2.C11H12ClNS.C11H14N2.C11H13NS.C10H12N2S/c2*1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9;1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;1-8-5-6-10-9(7-8)13-11(14-10)12(2,3)4;1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9/h2*4-8H,1-3H3;5-7H,1-4H3,(H,13,14);5-7H,1-4H3;4-6H,1-3H3,(H,13,14);4-6H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3
• InChIKey: GBYODJNVTWHDFV-UHFFFAOYSA-N
• XLogP: 30.81
• TPSA: 215.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 2
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1806.45
LogP ≤ 5	30.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine?

The IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine (CID 158209987) is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine.

What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine?

The canonical SMILES for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine is CC(C)(C)c1nc2c(Cl)cccc2[nH]1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nnc(-c2ccccc2)o1.CC(C)(C)c1nnc(-c2ccccc2)s1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2sc(C(C)(C)C)nc2c1.

What is the InChIKey of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine?

The InChIKey is GBYODJNVTWHDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C12H14N2S.C12H16N2.C12H15NS.C11H13ClN2.C11H12ClNS.C11H14N2.C11H13NS.C10H12N2S/c2*1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9;1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;1-8-5-6-10-9(7-8)13-11(14-10)12(2,3)4;1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9/h2*4-8H,1-3H3;5-7H,1-4H3,(H,13,14);5-7H,1-4H3;4-6H,1-3H3,(H,13,14);4-6H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3.

What are the key properties of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine?

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 1806.45 g/mol, XLogP of 30.81, 2 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 158209987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).