6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

C71H94N8OS — CID 161479708

IUPAC6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1cccc2c1CCC2.CC(C)(C)c1cccn2ncnc12.Cc1cc2nc(C(C)(C)C)[nH]c2cc1C.Cc1nc2cc(C(C)(C)C)ccc2s1
InChIInChI=1S/C13H18N2.C13H18.C12H15NS.C12H16O.C11H14N2.C10H13N3/c1-8-6-10-11(7-9(8)2)15-12(14-10)13(3,4)5;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-5-4-6-13-9(8)11-7-12-13/h6-7H,1-5H3,(H,14,15);5,7,9H,4,6,8H2,1-3H3;5-7H,1-4H3;4-5,8H,6-7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3
InChIKeyWEEQFUQOVCAHKT-UHFFFAOYSA-N
MW1107.65 g/mol
LogP18.66
Rot. Bonds

About 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 161479708) has the molecular formula C71H94N8OS and a molecular weight of 1107.65 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID161479708
Molecular FormulaC71H94N8OS
Molecular Weight1107.65 g/mol
Exact Mass1106.73
IUPAC Name6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1cccc2c1CCC2.CC(C)(C)c1cccn2ncnc12.Cc1cc2nc(C(C)(C)C)[nH]c2cc1C.Cc1nc2cc(C(C)(C)C)ccc2s1
InChIInChI=1S/C13H18N2.C13H18.C12H15NS.C12H16O.C11H14N2.C10H13N3/c1-8-6-10-11(7-9(8)2)15-12(14-10)13(3,4)5;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-5-4-6-13-9(8)11-7-12-13/h6-7H,1-5H3,(H,14,15);5,7,9H,4,6,8H2,1-3H3;5-7H,1-4H3;4-5,8H,6-7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3
InChIKeyWEEQFUQOVCAHKT-UHFFFAOYSA-N
XLogP18.66
TPSA109.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.65
LogP ≤ 518.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

4-tert-butyl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158255097
4-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2,3-dihydro-1-benzofuran;ethane
CID 158682254
5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole
CID 155911185
2-methyl-7,8-dihydro-3H-furo[3,2-e]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole
CID 157304074
1-[4-[7-(3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-3-methylphenyl]-2,2,2-trifluoroethanone
CID 46940881
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 162006352
[4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 143629716
5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 162020169
3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110743352
5-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole
CID 164933931
6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
CID 170503224
6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;bis(3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine);bis(5-tert-butyl-2,3-dihydro-1H-indene);6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;bis(6-tert-butyl-3,4-dihydro-2H-thiochromene 1,1-dioxide);7-tert-butyl-3-methylidene-2,4-dihydro-1H-isoquinoline;5-tert-butyl-1,2,3,4-tetrahydroisoquinoline;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;bis(6-tert-butyl-1,2,3,4-tetrahydronaphthalene);7-tert-butyl-1,2,3,4-tetrahydro-1,5-naphthyridine;bis(3-tert-butyl-5,6,7,8-tetrahydroquinoline);7-tert-butyl-1,2,3,4-tetrahydroquinoline;methane
CID 158915776

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (CID 161479708) is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1cccc2c1CCC2.CC(C)(C)c1cccn2ncnc12.Cc1cc2nc(C(C)(C)C)[nH]c2cc1C.Cc1nc2cc(C(C)(C)C)ccc2s1.
What is the InChIKey of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WEEQFUQOVCAHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.C13H18.C12H15NS.C12H16O.C11H14N2.C10H13N3/c1-8-6-10-11(7-9(8)2)15-12(14-10)13(3,4)5;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-5-4-6-13-9(8)11-7-12-13/h6-7H,1-5H3,(H,14,15);5,7,9H,4,6,8H2,1-3H3;5-7H,1-4H3;4-5,8H,6-7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3.
What are the key properties of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 1107.65 g/mol, XLogP of 18.66, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 161479708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).