4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene

C242H351ClF6N18O9 — CID 159780444

IUPAC4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene
SMILESCC(C)(C)C1CCCC(C(F)(F)F)C1.CC(C)(C)C1CCCN(c2ncccn2)C1.CC(C)(C)C1Cc2ccccc2O1.CC(C)(C)CC1=CCc2ccccc21.CC(C)(C)Cc1ccc(-n2cnnn2)cc1.CC(C)(C)Cc1ccc(F)cc1.CC(C)(C)Cc1ccccc1F.CC(C)(C)c1nc(N2CCCCC2)ncc1Cl.CC(C)COC(C)C(C)(C)C.CC(COCc1ccccc1)C(C)(C)C.CC(OCc1ccccc1)C(C)(C)C.CC(Oc1ccc(C(C)(C)C)cn1)c1ccccc1.CC(Oc1cccc(C#N)c1)C(C)(C)C.CC(Oc1ccccc1C#N)C(C)(C)C.CC(n1cnc2ccccc21)C(C)(C)C.CCn1cnc2cc(C(C)(C)C)ccc21.COc1ccc(CCC(C)(C)C)cc1F.COc1ccc2c(ccn2CC(C)(C)C)c1.Cc1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C17H21NO.C14H19NO.C14H22O.C14H18.C13H20ClN3.C13H19FO.C13H21N3.2C13H18N2.2C13H17NO.C13H20O.C12H16N4.C12H16O.C12H18.C11H19F3.2C11H15F.C10H22O/c1-13(14-8-6-5-7-9-14)19-16-11-10-15(12-18-16)17(2,3)4;1-14(2,3)10-15-8-7-11-9-12(16-4)5-6-13(11)15;1-12(14(2,3)4)10-15-11-13-8-6-5-7-9-13;1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)12;1-13(2,3)11-10(14)9-15-12(16-11)17-7-5-4-6-8-17;1-13(2,3)8-7-10-5-6-12(15-4)11(14)9-10;1-13(2,3)11-6-4-9-16(10-11)12-14-7-5-8-15-12;1-10(13(2,3)4)15-9-14-11-7-5-6-8-12(11)15;1-5-15-9-14-11-8-10(13(2,3)4)6-7-12(11)15;1-10(13(2,3)4)15-12-7-5-6-11(8-12)9-14;1-10(13(2,3)4)15-12-8-6-5-7-11(12)9-14;1-11(13(2,3)4)14-10-12-8-6-5-7-9-12;1-12(2,3)8-10-4-6-11(7-5-10)16-9-13-14-15-16;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-10-5-7-11(8-6-10)9-12(2,3)4;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)8-9-4-6-10(12)7-5-9;1-11(2,3)8-9-6-4-5-7-10(9)12;1-8(2)7-11-9(3)10(4,5)6/h5-13H,1-4H3;5-9H,10H2,1-4H3;5-9,12H,10-11H2,1-4H3;4-7,9H,8,10H2,1-3H3;9H,4-8H2,1-3H3;5-6,9H,7-8H2,1-4H3;5,7-8,11H,4,6,9-10H2,1-3H3;5-10H,1-4H3;6-9H,5H2,1-4H3;2*5-8,10H,1-4H3;5-9,11H,10H2,1-4H3;4-7,9H,8H2,1-3H3;4-7,11H,8H2,1-3H3;5-8H,9H2,1-4H3;8-9H,4-7H2,1-3H3;2*4-7H,8H2,1-3H3;8-9H,7H2,1-6H3
InChIKeyNHHGACKGWMAACX-UHFFFAOYSA-N
MW3806.03 g/mol
LogP66.71
Rot. Bonds32

About 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene

4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene (PubChem CID 159780444) has the molecular formula C242H351ClF6N18O9 and a molecular weight of 3806.03 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene.

Molecular Properties

Compound Name4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene
PubChem CID159780444
Molecular FormulaC242H351ClF6N18O9
Molecular Weight3806.03 g/mol
Exact Mass3802.72
IUPAC Name4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene
SMILESCC(C)(C)C1CCCC(C(F)(F)F)C1.CC(C)(C)C1CCCN(c2ncccn2)C1.CC(C)(C)C1Cc2ccccc2O1.CC(C)(C)CC1=CCc2ccccc21.CC(C)(C)Cc1ccc(-n2cnnn2)cc1.CC(C)(C)Cc1ccc(F)cc1.CC(C)(C)Cc1ccccc1F.CC(C)(C)c1nc(N2CCCCC2)ncc1Cl.CC(C)COC(C)C(C)(C)C.CC(COCc1ccccc1)C(C)(C)C.CC(OCc1ccccc1)C(C)(C)C.CC(Oc1ccc(C(C)(C)C)cn1)c1ccccc1.CC(Oc1cccc(C#N)c1)C(C)(C)C.CC(Oc1ccccc1C#N)C(C)(C)C.CC(n1cnc2ccccc21)C(C)(C)C.CCn1cnc2cc(C(C)(C)C)ccc21.COc1ccc(CCC(C)(C)C)cc1F.COc1ccc2c(ccn2CC(C)(C)C)c1.Cc1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C17H21NO.C14H19NO.C14H22O.C14H18.C13H20ClN3.C13H19FO.C13H21N3.2C13H18N2.2C13H17NO.C13H20O.C12H16N4.C12H16O.C12H18.C11H19F3.2C11H15F.C10H22O/c1-13(14-8-6-5-7-9-14)19-16-11-10-15(12-18-16)17(2,3)4;1-14(2,3)10-15-8-7-11-9-12(16-4)5-6-13(11)15;1-12(14(2,3)4)10-15-11-13-8-6-5-7-9-13;1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)12;1-13(2,3)11-10(14)9-15-12(16-11)17-7-5-4-6-8-17;1-13(2,3)8-7-10-5-6-12(15-4)11(14)9-10;1-13(2,3)11-6-4-9-16(10-11)12-14-7-5-8-15-12;1-10(13(2,3)4)15-9-14-11-7-5-6-8-12(11)15;1-5-15-9-14-11-8-10(13(2,3)4)6-7-12(11)15;1-10(13(2,3)4)15-12-7-5-6-11(8-12)9-14;1-10(13(2,3)4)15-12-8-6-5-7-11(12)9-14;1-11(13(2,3)4)14-10-12-8-6-5-7-9-12;1-12(2,3)8-10-4-6-11(7-5-10)16-9-13-14-15-16;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-10-5-7-11(8-6-10)9-12(2,3)4;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)8-9-4-6-10(12)7-5-9;1-11(2,3)8-9-6-4-5-7-10(9)12;1-8(2)7-11-9(3)10(4,5)6/h5-13H,1-4H3;5-9H,10H2,1-4H3;5-9,12H,10-11H2,1-4H3;4-7,9H,8,10H2,1-3H3;9H,4-8H2,1-3H3;5-6,9H,7-8H2,1-4H3;5,7-8,11H,4,6,9-10H2,1-3H3;5-10H,1-4H3;6-9H,5H2,1-4H3;2*5-8,10H,1-4H3;5-9,11H,10H2,1-4H3;4-7,9H,8H2,1-3H3;4-7,11H,8H2,1-3H3;5-8H,9H2,1-4H3;8-9H,4-7H2,1-3H3;2*4-7H,8H2,1-3H3;8-9H,7H2,1-6H3
InChIKeyNHHGACKGWMAACX-UHFFFAOYSA-N
XLogP66.71
TPSA285.75 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds32
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003806.03
LogP ≤ 566.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene with MolForge

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Related Compounds

5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene
CID 157109851
3-(1,1-Difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-5-[4-(2-methoxypropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-5-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;2-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 157875143
2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-chloro-2-(2,2-dimethylpropoxymethyl)benzene;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene
CID 160026779
1-[4-[3-(2,2-difluoropropyl)benzotriazol-5-yl]phenyl]cyclopropane-1-carbonitrile;1-(2,2-difluoropropyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]benzotriazole;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]benzotriazole;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyrazine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-ethyl-6-[4-(trifluoromethoxy)phenyl]benzotriazole;1-methyl-6-[4-(trifluoromethoxy)phenyl]benzimidazole;5-[4-(trifluoromethoxy)phenyl]-3H-indole
CID 163890993
2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;4-(5-chloropyrimidin-2-yl)morpholine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;1-(furan-2-yl)-5,5-dimethylhexan-1-one
CID 157474985
8-(5-Chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3,6-difluoro-2-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methoxy-4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-6-methylpyridine-2-carbonitrile;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methoxy-4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-pyrazin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 158211798
4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene
CID 158339652
4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;3-(3,3-dimethylbutan-2-yl)-3H-indole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole
CID 158486670
4-(4-Tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene
CID 159010435
4-(4-tert-butyl-5-chloropyrimidin-2-yl)morpholine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;3-(3,3-dimethylbutan-2-yl)-3H-indole;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2-(2,3,3-trimethylbutyl)benzonitrile;3-(2,3,3-trimethylbutyl)benzonitrile
CID 160438540
4-Tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzotriazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene
CID 160701325
2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene
CID 167599420

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene?
The IUPAC name of 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene (CID 159780444) is 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene.
What is the SMILES notation for 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene?
The canonical SMILES for 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene is CC(C)(C)C1CCCC(C(F)(F)F)C1.CC(C)(C)C1CCCN(c2ncccn2)C1.CC(C)(C)C1Cc2ccccc2O1.CC(C)(C)CC1=CCc2ccccc21.CC(C)(C)Cc1ccc(-n2cnnn2)cc1.CC(C)(C)Cc1ccc(F)cc1.CC(C)(C)Cc1ccccc1F.CC(C)(C)c1nc(N2CCCCC2)ncc1Cl.CC(C)COC(C)C(C)(C)C.CC(COCc1ccccc1)C(C)(C)C.CC(OCc1ccccc1)C(C)(C)C.CC(Oc1ccc(C(C)(C)C)cn1)c1ccccc1.CC(Oc1cccc(C#N)c1)C(C)(C)C.CC(Oc1ccccc1C#N)C(C)(C)C.CC(n1cnc2ccccc21)C(C)(C)C.CCn1cnc2cc(C(C)(C)C)ccc21.COc1ccc(CCC(C)(C)C)cc1F.COc1ccc2c(ccn2CC(C)(C)C)c1.Cc1ccc(CC(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene?
The InChIKey is NHHGACKGWMAACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.C14H19NO.C14H22O.C14H18.C13H20ClN3.C13H19FO.C13H21N3.2C13H18N2.2C13H17NO.C13H20O.C12H16N4.C12H16O.C12H18.C11H19F3.2C11H15F.C10H22O/c1-13(14-8-6-5-7-9-14)19-16-11-10-15(12-18-16)17(2,3)4;1-14(2,3)10-15-8-7-11-9-12(16-4)5-6-13(11)15;1-12(14(2,3)4)10-15-11-13-8-6-5-7-9-13;1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)12;1-13(2,3)11-10(14)9-15-12(16-11)17-7-5-4-6-8-17;1-13(2,3)8-7-10-5-6-12(15-4)11(14)9-10;1-13(2,3)11-6-4-9-16(10-11)12-14-7-5-8-15-12;1-10(13(2,3)4)15-9-14-11-7-5-6-8-12(11)15;1-5-15-9-14-11-8-10(13(2,3)4)6-7-12(11)15;1-10(13(2,3)4)15-12-7-5-6-11(8-12)9-14;1-10(13(2,3)4)15-12-8-6-5-7-11(12)9-14;1-11(13(2,3)4)14-10-12-8-6-5-7-9-12;1-12(2,3)8-10-4-6-11(7-5-10)16-9-13-14-15-16;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-10-5-7-11(8-6-10)9-12(2,3)4;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)8-9-4-6-10(12)7-5-9;1-11(2,3)8-9-6-4-5-7-10(9)12;1-8(2)7-11-9(3)10(4,5)6/h5-13H,1-4H3;5-9H,10H2,1-4H3;5-9,12H,10-11H2,1-4H3;4-7,9H,8,10H2,1-3H3;9H,4-8H2,1-3H3;5-6,9H,7-8H2,1-4H3;5,7-8,11H,4,6,9-10H2,1-3H3;5-10H,1-4H3;6-9H,5H2,1-4H3;2*5-8,10H,1-4H3;5-9,11H,10H2,1-4H3;4-7,9H,8H2,1-3H3;4-7,11H,8H2,1-3H3;5-8H,9H2,1-4H3;8-9H,4-7H2,1-3H3;2*4-7H,8H2,1-3H3;8-9H,7H2,1-6H3.
What are the key properties of 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene?
4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene has a molecular weight of 3806.03 g/mol, XLogP of 66.71, 32 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-chloro-2-piperidin-1-ylpyrimidine;2-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-2-(1-phenylethoxy)pyridine;2-(3-tert-butylpiperidin-1-yl)pyrimidine;1-tert-butyl-3-(trifluoromethyl)cyclohexane;1-(3,3-dimethylbutan-2-yl)benzimidazole;2-(3,3-dimethylbutan-2-yloxy)benzonitrile;3-(3,3-dimethylbutan-2-yloxy)benzonitrile;3,3-dimethylbutan-2-yloxymethylbenzene;4-(3,3-dimethylbutyl)-2-fluoro-1-methoxybenzene;2,2-dimethyl-3-(2-methylpropoxy)butane;1-(2,2-dimethylpropyl)-2-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;3-(2,2-dimethylpropyl)-1H-indene;1-(2,2-dimethylpropyl)-5-methoxyindole;1-(2,2-dimethylpropyl)-4-methylbenzene;1-[4-(2,2-dimethylpropyl)phenyl]tetrazole;2,3,3-trimethylbutoxymethylbenzene is sourced from PubChem (CID 159780444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).