1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole

C177H219Cl2F3N16O5 — CID 162055770

IUPAC1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole
SMILESCC(=O)c1cccc(N2CCCCC2)c1C(C)C.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)c1cccnn1.CC(C)(C)n1cnc2ccccc21.CC(C)(C)n1ncccc1=O.CC(C)CCc1ccccc1.CC(C)c1cc(C(F)(F)F)ccc1-n1cccc1.CC(c1cccc2ccccc12)C(C)(C)C.COc1ccc2c(C(C)(C)C)cc(-c3ccccc3)nc2c1.COc1ccc2c(C(C)(C)C)cc(-c3ccccn3)nc2c1Cl.COc1ccc2c(C(C)(C)C)nccc2c1.Cc1cc(-c2cc(Cl)ccc2C(C)C)n[nH]1.Cc1ccc(-n2cccc2)c(C(C)C)c1
InChIInChI=1S/C20H21NO.C19H19ClN2O.C16H23NO.C16H20.C14H14F3N.C14H17NO.C14H17N.C13H15ClN2.C13H19N.C11H14N2.C11H16.C8H12N2O.C8H12N2/c1-20(2,3)17-13-18(14-8-6-5-7-9-14)21-19-12-15(22-4)10-11-16(17)19;1-19(2,3)13-11-15(14-7-5-6-10-21-14)22-18-12(13)8-9-16(23-4)17(18)20;1-12(2)16-14(13(3)18)8-7-9-15(16)17-10-5-4-6-11-17;1-12(16(2,3)4)14-11-7-9-13-8-5-6-10-15(13)14;1-10(2)12-9-11(14(15,16)17)5-6-13(12)18-7-3-4-8-18;1-14(2,3)13-12-6-5-11(16-4)9-10(12)7-8-15-13;1-11(2)13-10-12(3)6-7-14(13)15-8-4-5-9-15;1-8(2)11-5-4-10(14)7-12(11)13-6-9(3)15-16-13;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2,3)10-7(11)5-4-6-9-10;1-8(2,3)7-5-4-6-9-10-7/h5-13H,1-4H3;5-11H,1-4H3;7-9,12H,4-6,10-11H2,1-3H3;5-12H,1-4H3;3-10H,1-2H3;5-9H,1-4H3;4-11H,1-3H3;4-8H,1-3H3,(H,15,16);4-7H,8-10H2,1-3H3;4-8H,1-3H3;3-7,10H,8-9H2,1-2H3;4-6H,1-3H3;4-6H,1-3H3
InChIKeyYZDSQLZVQGRUQN-UHFFFAOYSA-N
MW2778.71 g/mol
LogP47.37
Rot. Bonds18

About 1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole

1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole (PubChem CID 162055770) has the molecular formula C177H219Cl2F3N16O5 and a molecular weight of 2778.71 g/mol. Its IUPAC name is 1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole.

Molecular Properties

Compound Name1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole
PubChem CID162055770
Molecular FormulaC177H219Cl2F3N16O5
Molecular Weight2778.71 g/mol
Exact Mass2775.67
IUPAC Name1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole
SMILESCC(=O)c1cccc(N2CCCCC2)c1C(C)C.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)c1cccnn1.CC(C)(C)n1cnc2ccccc21.CC(C)(C)n1ncccc1=O.CC(C)CCc1ccccc1.CC(C)c1cc(C(F)(F)F)ccc1-n1cccc1.CC(c1cccc2ccccc12)C(C)(C)C.COc1ccc2c(C(C)(C)C)cc(-c3ccccc3)nc2c1.COc1ccc2c(C(C)(C)C)cc(-c3ccccn3)nc2c1Cl.COc1ccc2c(C(C)(C)C)nccc2c1.Cc1cc(-c2cc(Cl)ccc2C(C)C)n[nH]1.Cc1ccc(-n2cccc2)c(C(C)C)c1
InChIInChI=1S/C20H21NO.C19H19ClN2O.C16H23NO.C16H20.C14H14F3N.C14H17NO.C14H17N.C13H15ClN2.C13H19N.C11H14N2.C11H16.C8H12N2O.C8H12N2/c1-20(2,3)17-13-18(14-8-6-5-7-9-14)21-19-12-15(22-4)10-11-16(17)19;1-19(2,3)13-11-15(14-7-5-6-10-21-14)22-18-12(13)8-9-16(23-4)17(18)20;1-12(2)16-14(13(3)18)8-7-9-15(16)17-10-5-4-6-11-17;1-12(16(2,3)4)14-11-7-9-13-8-5-6-10-15(13)14;1-10(2)12-9-11(14(15,16)17)5-6-13(12)18-7-3-4-8-18;1-14(2,3)13-12-6-5-11(16-4)9-10(12)7-8-15-13;1-11(2)13-10-12(3)6-7-14(13)15-8-4-5-9-15;1-8(2)11-5-4-10(14)7-12(11)13-6-9(3)15-16-13;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2,3)10-7(11)5-4-6-9-10;1-8(2,3)7-5-4-6-9-10-7/h5-13H,1-4H3;5-11H,1-4H3;7-9,12H,4-6,10-11H2,1-3H3;5-12H,1-4H3;3-10H,1-2H3;5-9H,1-4H3;4-11H,1-3H3;4-8H,1-3H3,(H,15,16);4-7H,8-10H2,1-3H3;4-8H,1-3H3;3-7,10H,8-9H2,1-2H3;4-6H,1-3H3;4-6H,1-3H3
InChIKeyYZDSQLZVQGRUQN-UHFFFAOYSA-N
XLogP47.37
TPSA219.83 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002778.71
LogP ≤ 547.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole with MolForge

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Related Compounds

2-chloro-1-methoxy-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;1-methoxy-4-methyl-2-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylphenol;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline;4-propan-2-yl-3-(trifluoromethyl)pyridine
CID 160281062
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene
CID 159286747
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;6-fluoro-7-methylisoquinolin-1-amine;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene
CID 160292130
3-chloro-2-methoxy-6-propan-2-ylnaphthalene;6-chloro-7-methoxy-3-propan-2-ylquinoline;6-chloro-7-methoxy-3-propan-2-yl-1H-quinolin-2-one;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-propan-2-yl-1H-quinolin-2-one;1,2-dichloro-4-propan-2-ylbenzene;4,5-dichloro-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)cyclohexa-2,4-dien-1-one;bis(1,4-di(propan-2-yl)imidazole);2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);3,6-di(propan-2-yl)-1H-pyridin-2-one;2,5-di(propan-2-yl)pyrimidine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole
CID 160718630
4-tert-butyl-1H-benzimidazole;5-tert-butyl-2H-benzimidazole;6-tert-butyl-1,2-dimethylindole;5-tert-butyl-1H-indazole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-7-methoxyquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;6-tert-butyl-2-methylindazole;7-tert-butyl-2-methylindazole;6-tert-butyl-2-methyl-1H-indene;8-tert-butylquinoline;methyl 6-tert-butyl-1H-indene-2-carboxylate
CID 162181520
6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline
CID 163910853
5-tert-butyl-2H-benzotriazole;6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;6-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-1,5-dimethyl-2,3-dihydroindole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;4-tert-butylquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 164011300

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole?
The IUPAC name of 1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole (CID 162055770) is 1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole.
What is the SMILES notation for 1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole?
The canonical SMILES for 1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole is CC(=O)c1cccc(N2CCCCC2)c1C(C)C.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)c1cccnn1.CC(C)(C)n1cnc2ccccc21.CC(C)(C)n1ncccc1=O.CC(C)CCc1ccccc1.CC(C)c1cc(C(F)(F)F)ccc1-n1cccc1.CC(c1cccc2ccccc12)C(C)(C)C.COc1ccc2c(C(C)(C)C)cc(-c3ccccc3)nc2c1.COc1ccc2c(C(C)(C)C)cc(-c3ccccn3)nc2c1Cl.COc1ccc2c(C(C)(C)C)nccc2c1.Cc1cc(-c2cc(Cl)ccc2C(C)C)n[nH]1.Cc1ccc(-n2cccc2)c(C(C)C)c1.
What is the InChIKey of 1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole?
The InChIKey is YZDSQLZVQGRUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO.C19H19ClN2O.C16H23NO.C16H20.C14H14F3N.C14H17NO.C14H17N.C13H15ClN2.C13H19N.C11H14N2.C11H16.C8H12N2O.C8H12N2/c1-20(2,3)17-13-18(14-8-6-5-7-9-14)21-19-12-15(22-4)10-11-16(17)19;1-19(2,3)13-11-15(14-7-5-6-10-21-14)22-18-12(13)8-9-16(23-4)17(18)20;1-12(2)16-14(13(3)18)8-7-9-15(16)17-10-5-4-6-11-17;1-12(16(2,3)4)14-11-7-9-13-8-5-6-10-15(13)14;1-10(2)12-9-11(14(15,16)17)5-6-13(12)18-7-3-4-8-18;1-14(2,3)13-12-6-5-11(16-4)9-10(12)7-8-15-13;1-11(2)13-10-12(3)6-7-14(13)15-8-4-5-9-15;1-8(2)11-5-4-10(14)7-12(11)13-6-9(3)15-16-13;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2,3)10-7(11)5-4-6-9-10;1-8(2,3)7-5-4-6-9-10-7/h5-13H,1-4H3;5-11H,1-4H3;7-9,12H,4-6,10-11H2,1-3H3;5-12H,1-4H3;3-10H,1-2H3;5-9H,1-4H3;4-11H,1-3H3;4-8H,1-3H3,(H,15,16);4-7H,8-10H2,1-3H3;4-8H,1-3H3;3-7,10H,8-9H2,1-2H3;4-6H,1-3H3;4-6H,1-3H3.
What are the key properties of 1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole?
1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole has a molecular weight of 2778.71 g/mol, XLogP of 47.37, 18 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole is sourced from PubChem (CID 162055770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).