1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane

C142H206N14S9 — CID 158070797

IUPAC1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane
SMILESC.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1cccc2c1N=CC2.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1ccsc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cscn1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1ncns1.CC(C)(C)n1cnc2ccccc21
InChIInChI=1S/4C12H15N.C11H14N2.C8H13N.5C8H12S.C7H12N2.3C7H11NS.C6H10N2S.CH4/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;/h2*4-5,7-8H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-8H,1-3H3;4-5H,6H2,1-3H3;5*4-6H,1-3H3;4H,5H2,1-3H3;3*4-5H,1-3H3;4H,1-3H3;1H4
InChIKeyFLUJWTWVEYOFPJ-UHFFFAOYSA-N
MW2397.91 g/mol
LogP44.46
Rot. Bonds

About 1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane

1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane (PubChem CID 158070797) has the molecular formula C142H206N14S9 and a molecular weight of 2397.91 g/mol. Its IUPAC name is 1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane.

Molecular Properties

Compound Name1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane
PubChem CID158070797
Molecular FormulaC142H206N14S9
Molecular Weight2397.91 g/mol
Exact Mass2395.40
IUPAC Name1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane
SMILESC.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1cccc2c1N=CC2.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1ccsc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cscn1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1ncns1.CC(C)(C)n1cnc2ccccc21
InChIInChI=1S/4C12H15N.C11H14N2.C8H13N.5C8H12S.C7H12N2.3C7H11NS.C6H10N2S.CH4/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;/h2*4-5,7-8H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-8H,1-3H3;4-5H,6H2,1-3H3;5*4-6H,1-3H3;4H,5H2,1-3H3;3*4-5H,1-3H3;4H,1-3H3;1H4
InChIKeyFLUJWTWVEYOFPJ-UHFFFAOYSA-N
XLogP44.46
TPSA168.79 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002397.91
LogP ≤ 544.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane with MolForge

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Related Compounds

6-(1,3-benzothiazol-2-yl)-2-{(E)-3-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-1,3-dihydro-2H-1,3-benzimidazol-2-yliden]-1-propenyl}-1-ethyl-3-phenyl-3H-1,3-benzimidazol-1-ium
CID 5759702
7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide
CID 158035796
2-Tert-butyl-5-(1-phenylimidazol-2-yl)pyrimidine;1-cyclohexyl-2-(3-phenylphenyl)benzimidazole;5-(1-cyclopentylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine;2-(3-isocyanophenyl)-1-(2,4,6-trimethylphenyl)imidazole;1-(2-methylphenyl)-2-phenylimidazole;2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)imidazole;2-phenyl-1-thiophen-3-ylimidazole;2-[2-(4-propan-2-ylphenyl)imidazol-1-yl]pyridine
CID 159857686
1-tert-butyl-4-propan-2-ylbenzene;1-cyclopropyl-4-(1,1-difluoroethylsulfonyl)benzene;1-(1,1-difluoroethylsulfanyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2,4-dimethyl-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;5-methyl-2-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-4-(1,1,2,2-tetrafluoropropyl)benzene
CID 167708509
2-Thiophen-2-yl-1-[[2,4,6-triethyl-3,5-bis[(2-thiophen-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 139200744
4-[1-ethyl-5-[4-(N-phenylanilino)phenyl]-2-[5-(1,3-thiazol-2-yl)thiophen-2-yl]imidazol-4-yl]-N,N-diphenylaniline
CID 139248883
2-[2-[3-[5-(1,3-Benzothiazol-2-yl)-3-ethyl-1-phenylbenzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1-phenylbenzimidazol-5-yl]-1,3-benzothiazole
CID 3116941
6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-2-phenylimidazo[2,1-b][1,3]thiazole
CID 19964514
2-[1-[[1-Ethyl-6-(1,3-thiazol-2-yl)benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
CID 20811953
2-Methyl-4-[7-methyl-2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-1,3-thiazole
CID 53986934
3-[2-(3-Carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-[[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]methyl]carbazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 58059115
3-(Benzimidazol-1-yl)-9-[3-[9-(1-benzothiophen-2-yl)carbazol-3-yl]phenyl]carbazole
CID 58479917

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane?
The IUPAC name of 1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane (CID 158070797) is 1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane.
What is the SMILES notation for 1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane?
The canonical SMILES for 1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane is C.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1cccc2c1N=CC2.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1ccsc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cscn1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1ncns1.CC(C)(C)n1cnc2ccccc21.
What is the InChIKey of 1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane?
The InChIKey is FLUJWTWVEYOFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H15N.C11H14N2.C8H13N.5C8H12S.C7H12N2.3C7H11NS.C6H10N2S.CH4/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;/h2*4-5,7-8H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-8H,1-3H3;4-5H,6H2,1-3H3;5*4-6H,1-3H3;4H,5H2,1-3H3;3*4-5H,1-3H3;4H,1-3H3;1H4.
What are the key properties of 1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane?
1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane has a molecular weight of 2397.91 g/mol, XLogP of 44.46, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylbenzimidazole;2-tert-butyl-4H-imidazole;2-tert-butyl-3H-indole;5-tert-butyl-3H-indole;6-tert-butyl-3H-indole;7-tert-butyl-3H-indole;5-tert-butyl-2H-pyrrole;5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);bis(3-tert-butylthiophene);methane is sourced from PubChem (CID 158070797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).