6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole

C138H145N13S — CID 157397181

IUPAC6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole
SMILESCC(C)(C)c1ccc2c(-c3ccccc3)n[nH]c2c1.CC(C)(C)c1ccc2nc(-c3ccccc3)[nH]c2c1.CC(C)(C)c1ccc2nc(-c3ccccc3)sc2c1.CC(C)(C)c1cccc(-n2cc3ccccc3n2)c1.CC(C)(C)c1cccc(-n2ncc3ccccc32)c1.CC(C)(C)c1cccc(C2=NCc3ccccc32)c1.CC(C)(C)c1cccc(C2=Nc3ccccc3C2)c1.CC(C)(C)c1cccc2c(-c3ccccc3)[nH]nc12
InChIInChI=1S/2C18H19N.5C17H18N2.C17H17NS/c1-18(2,3)15-9-6-8-13(11-15)17-16-10-5-4-7-14(16)12-19-17;1-18(2,3)15-9-6-8-13(11-15)17-12-14-7-4-5-10-16(14)19-17;1-17(2,3)14-8-6-9-15(11-14)19-12-13-7-4-5-10-16(13)18-19;1-17(2,3)14-8-6-9-15(11-14)19-16-10-5-4-7-13(16)12-18-19;1-17(2,3)14-11-7-10-13-15(18-19-16(13)14)12-8-5-4-6-9-12;1-17(2,3)13-9-10-14-15(11-13)19-16(18-14)12-7-5-4-6-8-12;1-17(2,3)13-9-10-14-15(11-13)18-19-16(14)12-7-5-4-6-8-12;1-17(2,3)13-9-10-14-15(11-13)19-16(18-14)12-7-5-4-6-8-12/h2*4-11H,12H2,1-3H3;2*4-12H,1-3H3;3*4-11H,1-3H3,(H,18,19);4-11H,1-3H3
InChIKeyBMRYTBULXIVSBW-UHFFFAOYSA-N
MW2017.84 g/mol
LogP36.49
Rot. Bonds8

About 6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole

6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole (PubChem CID 157397181) has the molecular formula C138H145N13S and a molecular weight of 2017.84 g/mol. Its IUPAC name is 6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole.

Molecular Properties

Compound Name6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole
PubChem CID157397181
Molecular FormulaC138H145N13S
Molecular Weight2017.84 g/mol
Exact Mass2016.15
IUPAC Name6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole
SMILESCC(C)(C)c1ccc2c(-c3ccccc3)n[nH]c2c1.CC(C)(C)c1ccc2nc(-c3ccccc3)[nH]c2c1.CC(C)(C)c1ccc2nc(-c3ccccc3)sc2c1.CC(C)(C)c1cccc(-n2cc3ccccc3n2)c1.CC(C)(C)c1cccc(-n2ncc3ccccc32)c1.CC(C)(C)c1cccc(C2=NCc3ccccc32)c1.CC(C)(C)c1cccc(C2=Nc3ccccc3C2)c1.CC(C)(C)c1cccc2c(-c3ccccc3)[nH]nc12
InChIInChI=1S/2C18H19N.5C17H18N2.C17H17NS/c1-18(2,3)15-9-6-8-13(11-15)17-16-10-5-4-7-14(16)12-19-17;1-18(2,3)15-9-6-8-13(11-15)17-12-14-7-4-5-10-16(14)19-17;1-17(2,3)14-8-6-9-15(11-14)19-12-13-7-4-5-10-16(13)18-19;1-17(2,3)14-8-6-9-15(11-14)19-16-10-5-4-7-13(16)12-18-19;1-17(2,3)14-11-7-10-13-15(18-19-16(13)14)12-8-5-4-6-9-12;1-17(2,3)13-9-10-14-15(11-13)19-16(18-14)12-7-5-4-6-8-12;1-17(2,3)13-9-10-14-15(11-13)18-19-16(14)12-7-5-4-6-8-12;1-17(2,3)13-9-10-14-15(11-13)19-16(18-14)12-7-5-4-6-8-12/h2*4-11H,12H2,1-3H3;2*4-12H,1-3H3;3*4-11H,1-3H3,(H,18,19);4-11H,1-3H3
InChIKeyBMRYTBULXIVSBW-UHFFFAOYSA-N
XLogP36.49
TPSA159.29 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002017.84
LogP ≤ 536.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole with MolForge

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Related Compounds

6-[4-Amino-1-[[3-(2-methylimidazol-1-yl)naphthalen-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 121403207
4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole
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5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-6-methyl-3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-indazole
CID 145033382
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-dihydroindol-2-one;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3-(trifluoromethyl)benzene
CID 157627259
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-5-methyl-1H-pyrazole;1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;1-tert-butyl-3-(trifluoromethyl)benzene
CID 158615396
7-(5-fluorothiophen-2-yl)-2-[6-methyl-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 166866346
6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
CID 121350147
6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
CID 121350232
6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
CID 121350314
2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-benzimidazole
CID 136509156
5-[7-[5-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-methylthiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137031883
5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole
CID 137103043

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole?
The IUPAC name of 6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole (CID 157397181) is 6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole.
What is the SMILES notation for 6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole?
The canonical SMILES for 6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole is CC(C)(C)c1ccc2c(-c3ccccc3)n[nH]c2c1.CC(C)(C)c1ccc2nc(-c3ccccc3)[nH]c2c1.CC(C)(C)c1ccc2nc(-c3ccccc3)sc2c1.CC(C)(C)c1cccc(-n2cc3ccccc3n2)c1.CC(C)(C)c1cccc(-n2ncc3ccccc32)c1.CC(C)(C)c1cccc(C2=NCc3ccccc32)c1.CC(C)(C)c1cccc(C2=Nc3ccccc3C2)c1.CC(C)(C)c1cccc2c(-c3ccccc3)[nH]nc12.
What is the InChIKey of 6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole?
The InChIKey is BMRYTBULXIVSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H19N.5C17H18N2.C17H17NS/c1-18(2,3)15-9-6-8-13(11-15)17-16-10-5-4-7-14(16)12-19-17;1-18(2,3)15-9-6-8-13(11-15)17-12-14-7-4-5-10-16(14)19-17;1-17(2,3)14-8-6-9-15(11-14)19-12-13-7-4-5-10-16(13)18-19;1-17(2,3)14-8-6-9-15(11-14)19-16-10-5-4-7-13(16)12-18-19;1-17(2,3)14-11-7-10-13-15(18-19-16(13)14)12-8-5-4-6-9-12;1-17(2,3)13-9-10-14-15(11-13)19-16(18-14)12-7-5-4-6-8-12;1-17(2,3)13-9-10-14-15(11-13)18-19-16(14)12-7-5-4-6-8-12;1-17(2,3)13-9-10-14-15(11-13)19-16(18-14)12-7-5-4-6-8-12/h2*4-11H,12H2,1-3H3;2*4-12H,1-3H3;3*4-11H,1-3H3,(H,18,19);4-11H,1-3H3.
What are the key properties of 6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole?
6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole has a molecular weight of 2017.84 g/mol, XLogP of 36.49, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole is sourced from PubChem (CID 157397181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).