bis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane

C192H272N14O10S4 — CID 161442201

IUPACbis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2ccc(Cc3n[nH]c(=S)s3)cc2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)n1ccc2ccccc21.COc1cc(C(C)(C)C)cc(CO)c1CO.COc1cc(C(C)(C)C)cc2c1CNC(=O)N2c1ccccc1.COc1cc(C(C)(C)C)cc2c1OCC(=O)C2
InChIInChI=1S/C19H22N2O2.C17H18N2S2.C14H18O3.C13H20O3.C13H16.2C12H15N.C12H14O.C12H14S.3C11H14N2.C11H13NO.C11H13NS.13CH4/c1-19(2,3)13-10-16-15(17(11-13)23-4)12-20-18(22)21(16)14-8-6-5-7-9-14;1-17(2,3)14-7-6-12-5-4-11(8-13(12)10-14)9-15-18-19-16(20)21-15;1-14(2,3)10-5-9-6-11(15)8-17-13(9)12(7-10)16-4;1-13(2,3)10-5-9(7-14)11(8-15)12(6-10)16-4;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;;;;;;;;;;;;;/h5-11H,12H2,1-4H3,(H,20,22);4-8,10H,9H2,1-3H3,(H,19,20);5,7H,6,8H2,1-4H3;5-6,14-15H,7-8H2,1-4H3;4-5,7-9H,6H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-9H,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;13*1H4
InChIKeyVZKQZNRWNLAOPH-UHFFFAOYSA-N
MW3064.64 g/mol
LogP55.76
Rot. Bonds8

About bis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane

bis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane (PubChem CID 161442201) has the molecular formula C192H272N14O10S4 and a molecular weight of 3064.64 g/mol. Its IUPAC name is bis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane.

Molecular Properties

Compound Namebis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane
PubChem CID161442201
Molecular FormulaC192H272N14O10S4
Molecular Weight3064.64 g/mol
Exact Mass3062.01
IUPAC Namebis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2ccc(Cc3n[nH]c(=S)s3)cc2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)n1ccc2ccccc21.COc1cc(C(C)(C)C)cc(CO)c1CO.COc1cc(C(C)(C)C)cc2c1CNC(=O)N2c1ccccc1.COc1cc(C(C)(C)C)cc2c1OCC(=O)C2
InChIInChI=1S/C19H22N2O2.C17H18N2S2.C14H18O3.C13H20O3.C13H16.2C12H15N.C12H14O.C12H14S.3C11H14N2.C11H13NO.C11H13NS.13CH4/c1-19(2,3)13-10-16-15(17(11-13)23-4)12-20-18(22)21(16)14-8-6-5-7-9-14;1-17(2,3)14-7-6-12-5-4-11(8-13(12)10-14)9-15-18-19-16(20)21-15;1-14(2,3)10-5-9-6-11(15)8-17-13(9)12(7-10)16-4;1-13(2,3)10-5-9(7-14)11(8-15)12(6-10)16-4;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;;;;;;;;;;;;;/h5-11H,12H2,1-4H3,(H,20,22);4-8,10H,9H2,1-3H3,(H,19,20);5,7H,6,8H2,1-4H3;5-6,14-15H,7-8H2,1-4H3;4-5,7-9H,6H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-9H,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;13*1H4
InChIKeyVZKQZNRWNLAOPH-UHFFFAOYSA-N
XLogP55.76
TPSA310.86 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003064.64
LogP ≤ 555.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze bis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-yl-1,3-benzoxazole;6-tert-butyl-2-propan-2-yl-1H-indole;7-tert-butyl-2-propan-2-yl-1H-indole;3,6-ditert-butyl-1-benzofuran;3,6-ditert-butyl-1-benzothiophene;3,6-ditert-butyl-1H-indole;1,4-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)imidazolidin-2-one;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;3,5-di(propan-2-yl)-1H-1,2,4-triazole
CID 157120445
4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);6-methyl-1H-indole;2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine
CID 157221558
4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine
CID 157336788
bis(2-methyl-1H-benzimidazole);5-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;5-methylisoquinoline;8-methylisoquinoline;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methyl-1,3,5-triazine;toluene
CID 157388765
6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindol-1-amine;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole;6-tert-butylquinoline;methane
CID 157403960
3H-benzo[e]benzimidazole;benzo[e][1,3]benzothiazole;benzo[e][1,3]benzoxazole;1-benzofuran;1-benzothiophene;bis(cyclopenta-1,3-diene);1,2-dihydroindol-3-one;1,2-dihydropyrrolo[2,3-b]pyridin-3-one;5H-[1,3]dioxolo[4,5-f]benzimidazole;furan;1H-indene;2H-indene;isoquinoline;naphthalene;1,2-oxazole;1,3-oxazole;pteridine;pyrazine;pyridazine;pyridine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;3H-pyrrole;7H-pyrrolo[3,4-d]pyrimidine;quinazoline;quinoline;quinoxaline;thiophene;2H-triazole;4H-triazole
CID 157599864
5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 157635492
5,8-difluoro-6-methylquinazoline;5,7-difluoro-6-methylquinoline;2,6-dimethylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;8-fluoro-6-methylquinazoline;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;bis(6-methylquinazoline);6-methylquinoline
CID 157979378
6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine
CID 157989214
6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;7-tert-butylisoquinoline;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butylquinoline;2,5-dimethyl-1,3-benzothiazole;1-ethyl-5-propan-2-ylbenzimidazole;methane;6-propan-2-yl-3H-indole
CID 158088482
1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one
CID 158138486
5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 158269268

Frequently Asked Questions

What is the IUPAC name of bis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane?
The IUPAC name of bis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane (CID 161442201) is bis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane.
What is the SMILES notation for bis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane?
The canonical SMILES for bis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2ccc(Cc3n[nH]c(=S)s3)cc2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)n1ccc2ccccc21.COc1cc(C(C)(C)C)cc(CO)c1CO.COc1cc(C(C)(C)C)cc2c1CNC(=O)N2c1ccccc1.COc1cc(C(C)(C)C)cc2c1OCC(=O)C2.
What is the InChIKey of bis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane?
The InChIKey is VZKQZNRWNLAOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.C17H18N2S2.C14H18O3.C13H20O3.C13H16.2C12H15N.C12H14O.C12H14S.3C11H14N2.C11H13NO.C11H13NS.13CH4/c1-19(2,3)13-10-16-15(17(11-13)23-4)12-20-18(22)21(16)14-8-6-5-7-9-14;1-17(2,3)14-7-6-12-5-4-11(8-13(12)10-14)9-15-18-19-16(20)21-15;1-14(2,3)10-5-9-6-11(15)8-17-13(9)12(7-10)16-4;1-13(2,3)10-5-9(7-14)11(8-15)12(6-10)16-4;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;;;;;;;;;;;;;/h5-11H,12H2,1-4H3,(H,20,22);4-8,10H,9H2,1-3H3,(H,19,20);5,7H,6,8H2,1-4H3;5-6,14-15H,7-8H2,1-4H3;4-5,7-9H,6H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-9H,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;13*1H4.
What are the key properties of bis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane?
bis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane has a molecular weight of 3064.64 g/mol, XLogP of 55.76, 8 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane is sourced from PubChem (CID 161442201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).