4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene

C189H260N14O10S — CID 159075145

IUPAC4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(=O)N(C)CCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1ccnc(CCC2CCCCN2)c1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1csc2ccccc12.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1CO.COc1ccc2cc(C(C)(C)C)ccc2c1.COc1ccc2oc(C(C)(C)C)cc2c1.Cn1cc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C20H33N3O.C17H28N2O.C16H26N2.C15H18O.C14H20.C13H17N.C13H16O2.C12H14N2.C12H16O2.C12H16O.C12H14S.2C11H14N2.C11H14O2/c1-17(24)21(5)9-10-22-11-13-23(14-12-22)16-18-7-6-8-19(15-18)20(2,3)4;1-17(2,3)15-7-5-6-14(10-15)11-19-9-8-18(4)16(12-19)13-20;1-16(2,3)13-9-11-18-15(12-13)8-7-14-6-4-5-10-17-14;1-15(2,3)13-7-5-12-10-14(16-4)8-6-11(12)9-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)12-8-9-7-10(14-4)5-6-11(9)15-12;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;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)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h6-8,15H,9-14,16H2,1-5H3;5-7,10,16,20H,8-9,11-13H2,1-4H3;9,11-12,14,17H,4-8,10H2,1-3H3;5-10H,1-4H3;8-10H,4-7H2,1-3H3;5-9H,1-4H3;5-8H,1-4H3;4-8H,1-3H3;4-6H,7-8H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6H,7H2,1-3H3
InChIKeyKADRDILEODXLPB-UHFFFAOYSA-N
MW2920.31 g/mol
LogP44.58
Rot. Bonds13

About 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene

4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 159075145) has the molecular formula C189H260N14O10S and a molecular weight of 2920.31 g/mol. Its IUPAC name is 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
PubChem CID159075145
Molecular FormulaC189H260N14O10S
Molecular Weight2920.31 g/mol
Exact Mass2918.00
IUPAC Name4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(=O)N(C)CCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1ccnc(CCC2CCCCN2)c1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1csc2ccccc12.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1CO.COc1ccc2cc(C(C)(C)C)ccc2c1.COc1ccc2oc(C(C)(C)C)cc2c1.Cn1cc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C20H33N3O.C17H28N2O.C16H26N2.C15H18O.C14H20.C13H17N.C13H16O2.C12H14N2.C12H16O2.C12H16O.C12H14S.2C11H14N2.C11H14O2/c1-17(24)21(5)9-10-22-11-13-23(14-12-22)16-18-7-6-8-19(15-18)20(2,3)4;1-17(2,3)15-7-5-6-14(10-15)11-19-9-8-18(4)16(12-19)13-20;1-16(2,3)13-9-11-18-15(12-13)8-7-14-6-4-5-10-17-14;1-15(2,3)13-7-5-12-10-14(16-4)8-6-11(12)9-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)12-8-9-7-10(14-4)5-6-11(9)15-12;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;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)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h6-8,15H,9-14,16H2,1-5H3;5-7,10,16,20H,8-9,11-13H2,1-4H3;9,11-12,14,17H,4-8,10H2,1-3H3;5-10H,1-4H3;8-10H,4-7H2,1-3H3;5-9H,1-4H3;5-8H,1-4H3;4-8H,1-3H3;4-6H,7-8H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6H,7H2,1-3H3
InChIKeyKADRDILEODXLPB-UHFFFAOYSA-N
XLogP44.58
TPSA244.24 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002920.31
LogP ≤ 544.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 161492176
1-(5-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;8-tert-butyl-N,N-dimethylquinolin-2-amine;8-tert-butyl-2-methoxyquinoline;5-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinoline;4-tert-butyl-2-methylisoindole;6-tert-butyl-1-(1-methylpyrrolidin-3-yl)indazole;5-tert-butyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-1-pyrrolidin-3-ylindazole;4-[(8-tert-butylquinolin-7-yl)methyl]morpholine;5-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 159427377
(4-benzhydrylpiperazin-1-yl)-quinolin-3-ylmethanethione;(4-benzhydrylpiperazin-1-yl)-quinolin-2-ylmethanone;[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone;(1-methylindol-3-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone;(5-methyl-1H-indol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 160960132
4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone
CID 157073983
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole
CID 663146
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 131945300
1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane
CID 161015124
1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol
CID 161124583
tert-butylbenzene;2-tert-butyl-5-chlorothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;3-tert-butylfuran;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;1-tert-butyl-4-phenylbenzene;1-[(4-tert-butylphenyl)methyl]piperidine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;[(E)-3,3-dimethylbut-1-enyl]benzene
CID 159675893
N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methoxybenzamide
CID 16947953
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-diazoethanesulfonamide;2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-diazoethanesulfonamide;2-(4-benzylpiperidin-1-yl)-N-diazoethanesulfonamide;4-chloro-N-diazobenzenesulfonamide;N-diazo-2-(dibenzylamino)ethanesulfonamide;N-diazo-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonamide;N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;N-diazo-4-methoxybenzenesulfonamide;N-diazo-4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide;N-diazo-2-methylbenzenesulfonamide
CID 158154871
5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2-fluoro-4-(1-fluoroethoxy)benzene;2-(4-tert-butyl-3-fluorophenyl)propan-2-ol;1-tert-butyl-2-methoxybenzene;6-tert-butyl-1-methylbenzotriazole;1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[2-(piperidin-1-ylmethyl)morpholin-4-yl]propan-1-one;1-[4-(2-fluoro-4-methylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 161159004

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene (CID 159075145) is 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene is CC(=O)N(C)CCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1ccnc(CCC2CCCCN2)c1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1csc2ccccc12.CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1CO.COc1ccc2cc(C(C)(C)C)ccc2c1.COc1ccc2oc(C(C)(C)C)cc2c1.Cn1cc(C(C)(C)C)c2ccccc21.
What is the InChIKey of 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is KADRDILEODXLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O.C17H28N2O.C16H26N2.C15H18O.C14H20.C13H17N.C13H16O2.C12H14N2.C12H16O2.C12H16O.C12H14S.2C11H14N2.C11H14O2/c1-17(24)21(5)9-10-22-11-13-23(14-12-22)16-18-7-6-8-19(15-18)20(2,3)4;1-17(2,3)15-7-5-6-14(10-15)11-19-9-8-18(4)16(12-19)13-20;1-16(2,3)13-9-11-18-15(12-13)8-7-14-6-4-5-10-17-14;1-15(2,3)13-7-5-12-10-14(16-4)8-6-11(12)9-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)12-8-9-7-10(14-4)5-6-11(9)15-12;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;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)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h6-8,15H,9-14,16H2,1-5H3;5-7,10,16,20H,8-9,11-13H2,1-4H3;9,11-12,14,17H,4-8,10H2,1-3H3;5-10H,1-4H3;8-10H,4-7H2,1-3H3;5-9H,1-4H3;5-8H,1-4H3;4-8H,1-3H3;4-6H,7-8H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6H,7H2,1-3H3.
What are the key properties of 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene?
4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 2920.31 g/mol, XLogP of 44.58, 13 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159075145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).