2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C147H167ClF8N10O6 — CID 158234678

IUPAC2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCC(C)(C)c1c(F)cccc1F.CC(C)(C)c1cc(C(F)(F)F)ccc1Cl.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2ccccc2n1.CCOc1ccccc1C(C)(C)C.Cc1c(C(C)(C)C)oc2ccccc12.Cc1cc(F)c(C(C)(C)C)cc1F.Cc1ccccc1C(=O)N1CCn2c(cnc2-c2ccc(F)cc2C)C1C.Cc1ccccc1C(=O)N1CCn2c(cnc2-c2ccccc2C)C1.Cc1ccccc1C(=O)N1CCn2c(cnc2-c2ccccc2C)C1C
InChIInChI=1S/C22H22FN3O.C22H23N3O.C21H21N3O.C13H15N.C13H16O.C12H14O.C12H18O.C11H12ClF3.C11H14F2.C10H12F2/c1-14-6-4-5-7-19(14)22(27)25-10-11-26-20(16(25)3)13-24-21(26)18-9-8-17(23)12-15(18)2;1-15-8-4-6-10-18(15)21-23-14-20-17(3)24(12-13-25(20)21)22(26)19-11-7-5-9-16(19)2;1-15-7-3-5-9-18(15)20-22-13-17-14-23(11-12-24(17)20)21(25)19-10-6-4-8-16(19)2;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-5-13-11-9-7-6-8-10(11)12(2,3)4;1-10(2,3)8-6-7(11(13,14)15)4-5-9(8)12;1-7-5-10(13)8(6-9(7)12)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12/h4-9,12-13,16H,10-11H2,1-3H3;4-11,14,17H,12-13H2,1-3H3;3-10,13H,11-12,14H2,1-2H3;4-9H,1-3H3;5-8H,1-4H3;4-8H,1-3H3;6-9H,5H2,1-4H3;4-6H,1-3H3;5-6H,1-4H3;4-6H,1-3H3
InChIKeyGEUWQGKDGRUTRL-UHFFFAOYSA-N
MW2357.45 g/mol
LogP38.90
Rot. Bonds8

About 2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 158234678) has the molecular formula C147H167ClF8N10O6 and a molecular weight of 2357.45 g/mol. Its IUPAC name is 2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID158234678
Molecular FormulaC147H167ClF8N10O6
Molecular Weight2357.45 g/mol
Exact Mass2355.26
IUPAC Name2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCC(C)(C)c1c(F)cccc1F.CC(C)(C)c1cc(C(F)(F)F)ccc1Cl.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2ccccc2n1.CCOc1ccccc1C(C)(C)C.Cc1c(C(C)(C)C)oc2ccccc12.Cc1cc(F)c(C(C)(C)C)cc1F.Cc1ccccc1C(=O)N1CCn2c(cnc2-c2ccc(F)cc2C)C1C.Cc1ccccc1C(=O)N1CCn2c(cnc2-c2ccccc2C)C1.Cc1ccccc1C(=O)N1CCn2c(cnc2-c2ccccc2C)C1C
InChIInChI=1S/C22H22FN3O.C22H23N3O.C21H21N3O.C13H15N.C13H16O.C12H14O.C12H18O.C11H12ClF3.C11H14F2.C10H12F2/c1-14-6-4-5-7-19(14)22(27)25-10-11-26-20(16(25)3)13-24-21(26)18-9-8-17(23)12-15(18)2;1-15-8-4-6-10-18(15)21-23-14-20-17(3)24(12-13-25(20)21)22(26)19-11-7-5-9-16(19)2;1-15-7-3-5-9-18(15)20-22-13-17-14-23(11-12-24(17)20)21(25)19-10-6-4-8-16(19)2;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-5-13-11-9-7-6-8-10(11)12(2,3)4;1-10(2,3)8-6-7(11(13,14)15)4-5-9(8)12;1-7-5-10(13)8(6-9(7)12)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12/h4-9,12-13,16H,10-11H2,1-3H3;4-11,14,17H,12-13H2,1-3H3;3-10,13H,11-12,14H2,1-2H3;4-9H,1-3H3;5-8H,1-4H3;4-8H,1-3H3;6-9H,5H2,1-4H3;4-6H,1-3H3;5-6H,1-4H3;4-6H,1-3H3
InChIKeyGEUWQGKDGRUTRL-UHFFFAOYSA-N
XLogP38.90
TPSA162.79 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002357.45
LogP ≤ 538.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

1-Tert-butyl-3-chlorobenzene;2-tert-butyl-6-chloro-1-benzofuran;3-tert-butyl-5-chloro-6-fluoro-1-methylindole;3-tert-butyl-5-chloro-4-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-chloro-1-methylbenzene;3-tert-butyl-5-chloro-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-4,5-difluoro-1-methylindole;3-tert-butyl-5,6-difluoro-1-methylindole;3-tert-butyl-4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-tert-butyl-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;methane
CID 158062879
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 158088265
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 158104173
1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butylcyclopentene;1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;4-tert-butyl-1-methylpiperidine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1-cycloheptyl-3-methylbutan-2-one;1,2-dimethyl-4-propan-2-ylbenzene;2-methylbutane;3-methyl-1-(4-methylcyclohexyl)butan-2-one;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;propane;propan-2-ol;propan-2-yloxymethylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 160403555
1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 161087555
N-benzyl-3-hydroxy-4-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-4-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-6-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide;3-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 162094301
9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)
CID 169301833
(NE)-N-[1-[5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]ethylidene]hydroxylamine;[5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;3-[(1S)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine
CID 172962328
3,21-Dimethyl-14-aza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 157235978
5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);tris(iridium);iridium(3+);2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine;3-phenyl-2H-pyridin-2-ide
CID 157245125
1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 157351087
5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine)
CID 157356332

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of 2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 158234678) is 2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for 2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for 2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is CC(C)(C)c1c(F)cccc1F.CC(C)(C)c1cc(C(F)(F)F)ccc1Cl.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2ccccc2n1.CCOc1ccccc1C(C)(C)C.Cc1c(C(C)(C)C)oc2ccccc12.Cc1cc(F)c(C(C)(C)C)cc1F.Cc1ccccc1C(=O)N1CCn2c(cnc2-c2ccc(F)cc2C)C1C.Cc1ccccc1C(=O)N1CCn2c(cnc2-c2ccccc2C)C1.Cc1ccccc1C(=O)N1CCn2c(cnc2-c2ccccc2C)C1C.
What is the InChIKey of 2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is GEUWQGKDGRUTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O.C22H23N3O.C21H21N3O.C13H15N.C13H16O.C12H14O.C12H18O.C11H12ClF3.C11H14F2.C10H12F2/c1-14-6-4-5-7-19(14)22(27)25-10-11-26-20(16(25)3)13-24-21(26)18-9-8-17(23)12-15(18)2;1-15-8-4-6-10-18(15)21-23-14-20-17(3)24(12-13-25(20)21)22(26)19-11-7-5-9-16(19)2;1-15-7-3-5-9-18(15)20-22-13-17-14-23(11-12-24(17)20)21(25)19-10-6-4-8-16(19)2;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-5-13-11-9-7-6-8-10(11)12(2,3)4;1-10(2,3)8-6-7(11(13,14)15)4-5-9(8)12;1-7-5-10(13)8(6-9(7)12)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12/h4-9,12-13,16H,10-11H2,1-3H3;4-11,14,17H,12-13H2,1-3H3;3-10,13H,11-12,14H2,1-2H3;4-9H,1-3H3;5-8H,1-4H3;4-8H,1-3H3;6-9H,5H2,1-4H3;4-6H,1-3H3;5-6H,1-4H3;4-6H,1-3H3.
What are the key properties of 2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 2357.45 g/mol, XLogP of 38.90, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 158234678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).