6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole

C200H243N17O12S2 — CID 160793691

IUPAC6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole
SMILESCC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2cc3c(cc2c1)CN=C3C(N)=O.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1coc2ccccc12.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)n1cnc2ccc3cc(C(C)(C)C)ccc3c21.COc1cc(C(C)(C)C)cc(CO)c1CO.COc1cc(C(C)(C)C)cc2c1CNC(=O)N2c1ccccc1.COc1cc(C(C)(C)C)cc2c1OCC(=O)C2.Cn1cnc2ccc3cc(C(C)(C)C)ccc3c21
InChIInChI=1S/C19H22N2O2.C18H22N2.C17H18N2O.C16H18N2.C14H18O3.C13H20O3.C13H16.C12H15N.C12H14O.2C11H14N2.2C11H13NO.2C11H13NS/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;1-12(2)20-11-19-16-9-6-13-10-14(18(3,4)5)7-8-15(13)17(16)20;1-17(2,3)13-5-4-10-8-14-12(6-11(10)7-13)9-19-15(14)16(18)20;1-16(2,3)12-6-7-13-11(9-12)5-8-14-15(13)18(4)10-17-14;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)12-8-10-6-4-5-7-11(10)9-12;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h5-11H,12H2,1-4H3,(H,20,22);6-12H,1-5H3;4-8H,9H2,1-3H3,(H2,18,20);5-10H,1-4H3;5,7H,6,8H2,1-4H3;5-6,14-15H,7-8H2,1-4H3;4-8H,9H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3
InChIKeySCDRXVNUTMGEIJ-UHFFFAOYSA-N
MW3141.38 g/mol
LogP50.65
Rot. Bonds8

About 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole

6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole (PubChem CID 160793691) has the molecular formula C200H243N17O12S2 and a molecular weight of 3141.38 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole
PubChem CID160793691
Molecular FormulaC200H243N17O12S2
Molecular Weight3141.38 g/mol
Exact Mass3138.84
IUPAC Name6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole
SMILESCC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2cc3c(cc2c1)CN=C3C(N)=O.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1coc2ccccc12.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)n1cnc2ccc3cc(C(C)(C)C)ccc3c21.COc1cc(C(C)(C)C)cc(CO)c1CO.COc1cc(C(C)(C)C)cc2c1CNC(=O)N2c1ccccc1.COc1cc(C(C)(C)C)cc2c1OCC(=O)C2.Cn1cnc2ccc3cc(C(C)(C)C)ccc3c21
InChIInChI=1S/C19H22N2O2.C18H22N2.C17H18N2O.C16H18N2.C14H18O3.C13H20O3.C13H16.C12H15N.C12H14O.2C11H14N2.2C11H13NO.2C11H13NS/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;1-12(2)20-11-19-16-9-6-13-10-14(18(3,4)5)7-8-15(13)17(16)20;1-17(2,3)13-5-4-10-8-14-12(6-11(10)7-13)9-19-15(14)16(18)20;1-16(2,3)12-6-7-13-11(9-12)5-8-14-15(13)18(4)10-17-14;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)12-8-10-6-4-5-7-11(10)9-12;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h5-11H,12H2,1-4H3,(H,20,22);6-12H,1-5H3;4-8H,9H2,1-3H3,(H2,18,20);5-10H,1-4H3;5,7H,6,8H2,1-4H3;5-6,14-15H,7-8H2,1-4H3;4-8H,9H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3
InChIKeySCDRXVNUTMGEIJ-UHFFFAOYSA-N
XLogP50.65
TPSA378.58 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds8
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003141.38
LogP ≤ 550.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butylbenzene;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclopenta-1,3-diene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-1H-imidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;5-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthiophene;2-tert-butyl-1,3,5-triazine;2,2-dimethylpropylbenzene;ethane
CID 157153880
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
ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157249492
bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1H-indole;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one
CID 157262557
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
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
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-(1,3-benzoxazol-2-yl)-3-piperidin-1-ylpropan-1-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-(1-propan-2-ylbenzo[e]benzimidazol-7-yl)propan-1-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one
CID 157717690
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
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 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole?
The IUPAC name of 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole (CID 160793691) is 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole?
The canonical SMILES for 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole is CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2cc3c(cc2c1)CN=C3C(N)=O.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1coc2ccccc12.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)n1cnc2ccc3cc(C(C)(C)C)ccc3c21.COc1cc(C(C)(C)C)cc(CO)c1CO.COc1cc(C(C)(C)C)cc2c1CNC(=O)N2c1ccccc1.COc1cc(C(C)(C)C)cc2c1OCC(=O)C2.Cn1cnc2ccc3cc(C(C)(C)C)ccc3c21.
What is the InChIKey of 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole?
The InChIKey is SCDRXVNUTMGEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.C18H22N2.C17H18N2O.C16H18N2.C14H18O3.C13H20O3.C13H16.C12H15N.C12H14O.2C11H14N2.2C11H13NO.2C11H13NS/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;1-12(2)20-11-19-16-9-6-13-10-14(18(3,4)5)7-8-15(13)17(16)20;1-17(2,3)13-5-4-10-8-14-12(6-11(10)7-13)9-19-15(14)16(18)20;1-16(2,3)12-6-7-13-11(9-12)5-8-14-15(13)18(4)10-17-14;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)12-8-10-6-4-5-7-11(10)9-12;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h5-11H,12H2,1-4H3,(H,20,22);6-12H,1-5H3;4-8H,9H2,1-3H3,(H2,18,20);5-10H,1-4H3;5,7H,6,8H2,1-4H3;5-6,14-15H,7-8H2,1-4H3;4-8H,9H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3.
What are the key properties of 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole?
6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole has a molecular weight of 3141.38 g/mol, XLogP of 50.65, 8 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;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;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole is sourced from PubChem (CID 160793691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).