2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine

C88H103N17S5 — CID 161046791

IUPAC2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)c1cn2ccccc2n1.CC(C)c1cn2ccccc2n1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccncc2s1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2ncccc2s1
InChIInChI=1S/C11H14N2.C10H13N3.2C10H12N2.2C10H11NS.3C9H10N2S/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;2*1-8(2)9-7-12-6-4-3-5-10(12)11-9;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8/h4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,12,13);2*3-8H,1-2H3;2*3-7H,1-2H3;3*3-6H,1-2H3
InChIKeyUBPGSRPLCFJSAA-UHFFFAOYSA-N
MW1559.25 g/mol
LogP25.31
Rot. Bonds7

About 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine

2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 161046791) has the molecular formula C88H103N17S5 and a molecular weight of 1559.25 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
PubChem CID161046791
Molecular FormulaC88H103N17S5
Molecular Weight1559.25 g/mol
Exact Mass1557.72
IUPAC Name2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)c1cn2ccccc2n1.CC(C)c1cn2ccccc2n1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccncc2s1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2ncccc2s1
InChIInChI=1S/C11H14N2.C10H13N3.2C10H12N2.2C10H11NS.3C9H10N2S/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;2*1-8(2)9-7-12-6-4-3-5-10(12)11-9;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8/h4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,12,13);2*3-8H,1-2H3;2*3-7H,1-2H3;3*3-6H,1-2H3
InChIKeyUBPGSRPLCFJSAA-UHFFFAOYSA-N
XLogP25.31
TPSA207.97 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001559.25
LogP ≤ 525.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine (CID 161046791) is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine is CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)c1cn2ccccc2n1.CC(C)c1cn2ccccc2n1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccncc2s1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2ncccc2s1.
What is the InChIKey of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is UBPGSRPLCFJSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C10H13N3.2C10H12N2.2C10H11NS.3C9H10N2S/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;2*1-8(2)9-7-12-6-4-3-5-10(12)11-9;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8/h4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,12,13);2*3-8H,1-2H3;2*3-7H,1-2H3;3*3-6H,1-2H3.
What are the key properties of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 1559.25 g/mol, XLogP of 25.31, 7 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-ylimidazo[1,2-a]pyridine);2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 161046791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).