1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine

C155H191N21O4S2 — CID 159741600

IUPAC1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine
SMILESCC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1ccc2c(c1)=NCN=2.CC(C)(C)c1ccc2c(c1)=NCN=2.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2nccn2n1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2occc2n1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)n1cnc2ccccc21
InChIInChI=1S/C12H15N.C12H14O.6C11H14N2.3C11H13NO.2C11H13NS.C10H13N3/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;2*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-5-4-9-8(12-10)6-7-13-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-4-5-9-11-6-7-13(9)12-8/h4-8,13H,1-3H3;2*4-8H,1-3H3;2*4-6H,7H2,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);6*4-7H,1-3H3
InChIKeyNCNIOYXJRSZHQQ-UHFFFAOYSA-N
MW2476.51 g/mol
LogP39.09
Rot. Bonds

About 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine

1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine (PubChem CID 159741600) has the molecular formula C155H191N21O4S2 and a molecular weight of 2476.51 g/mol. Its IUPAC name is 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine
PubChem CID159741600
Molecular FormulaC155H191N21O4S2
Molecular Weight2476.51 g/mol
Exact Mass2474.48
IUPAC Name1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine
SMILESCC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1ccc2c(c1)=NCN=2.CC(C)(C)c1ccc2c(c1)=NCN=2.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2nccn2n1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2occc2n1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)n1cnc2ccccc21
InChIInChI=1S/C12H15N.C12H14O.6C11H14N2.3C11H13NO.2C11H13NS.C10H13N3/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;2*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-5-4-9-8(12-10)6-7-13-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-4-5-9-11-6-7-13(9)12-8/h4-8,13H,1-3H3;2*4-8H,1-3H3;2*4-6H,7H2,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);6*4-7H,1-3H3
InChIKeyNCNIOYXJRSZHQQ-UHFFFAOYSA-N
XLogP39.09
TPSA293.53 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002476.51
LogP ≤ 539.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine?
The IUPAC name of 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine (CID 159741600) is 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine is CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1ccc2c(c1)=NCN=2.CC(C)(C)c1ccc2c(c1)=NCN=2.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2nccn2n1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2occc2n1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)n1cnc2ccccc21.
What is the InChIKey of 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine?
The InChIKey is NCNIOYXJRSZHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C12H14O.6C11H14N2.3C11H13NO.2C11H13NS.C10H13N3/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;2*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-5-4-9-8(12-10)6-7-13-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-4-5-9-11-6-7-13(9)12-8/h4-8,13H,1-3H3;2*4-8H,1-3H3;2*4-6H,7H2,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);6*4-7H,1-3H3.
What are the key properties of 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine?
1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine has a molecular weight of 2476.51 g/mol, XLogP of 39.09, 0 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 159741600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).