tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride

C120H131Cl2N32O14Pd- — CID 158628053

IUPACtert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride
SMILESC.CC(C)(C)OC(=O)n1cnc(-c2ccc(N)cc2)c1.CC(C)(C)OC(=O)n1cnc(-c2ccc([N+](=O)[O-])cc2)c1.CO.Cl.Cn1ncc2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1ncc2ccc(-c3cc(Nc4ccc(-c5cn(C(=O)OC(C)(C)C)cn5)cc4)nc(N4CCOCC4)n3)cc21.Cn1ncc2ccc(-c3cc(Nc4ccc(-c5cnc[nH]5)cc4)nc(N4CCOCC4)n3)cc21.O=[N+]([O-])c1ccc(-c2cnc[nH]2)cc1.[CH3-].[Pd].c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C30H32N8O3.C25H24N8O.C16H16ClN5O.C14H15N3O4.C14H17N3O2.C9H7N3O2.C9H8N2.CH4O.CH4.CH3.ClH.Pd/c1-30(2,3)41-29(39)38-18-25(31-19-38)20-7-9-23(10-8-20)33-27-16-24(34-28(35-27)37-11-13-40-14-12-37)21-5-6-22-17-32-36(4)26(22)15-21;1-32-23-12-18(2-3-19(23)14-28-32)21-13-24(31-25(30-21)33-8-10-34-11-9-33)29-20-6-4-17(5-7-20)22-15-26-16-27-22;1-21-14-8-11(2-3-12(14)10-18-21)13-9-15(17)20-16(19-13)22-4-6-23-7-5-22;1-14(2,3)21-13(18)16-8-12(15-9-16)10-4-6-11(7-5-10)17(19)20;1-14(2,3)19-13(18)17-8-12(16-9-17)10-4-6-11(15)7-5-10;13-12(14)8-3-1-7(2-4-8)9-5-10-6-11-9;1-2-4-8(5-3-1)9-6-10-7-11-9;1-2;;;;/h5-10,15-19H,11-14H2,1-4H3,(H,33,34,35);2-7,12-16H,8-11H2,1H3,(H,26,27)(H,29,30,31);2-3,8-10H,4-7H2,1H3;4-9H,1-3H3;4-9H,15H2,1-3H3;1-6H,(H,10,11);1-7H,(H,10,11);2H,1H3;1H4;1H3;1H;/q;;;;;;;;;-1;;
InChIKeyBOPLRVKEWWDEGF-UHFFFAOYSA-N
MW2422.90 g/mol
LogP23.11
Rot. Bonds18

About tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride

tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride (PubChem CID 158628053) has the molecular formula C120H131Cl2N32O14Pd- and a molecular weight of 2422.90 g/mol. Its IUPAC name is tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride
PubChem CID158628053
Molecular FormulaC120H131Cl2N32O14Pd-
Molecular Weight2422.90 g/mol
Exact Mass2419.89
IUPAC Nametert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride
SMILESC.CC(C)(C)OC(=O)n1cnc(-c2ccc(N)cc2)c1.CC(C)(C)OC(=O)n1cnc(-c2ccc([N+](=O)[O-])cc2)c1.CO.Cl.Cn1ncc2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1ncc2ccc(-c3cc(Nc4ccc(-c5cn(C(=O)OC(C)(C)C)cn5)cc4)nc(N4CCOCC4)n3)cc21.Cn1ncc2ccc(-c3cc(Nc4ccc(-c5cnc[nH]5)cc4)nc(N4CCOCC4)n3)cc21.O=[N+]([O-])c1ccc(-c2cnc[nH]2)cc1.[CH3-].[Pd].c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C30H32N8O3.C25H24N8O.C16H16ClN5O.C14H15N3O4.C14H17N3O2.C9H7N3O2.C9H8N2.CH4O.CH4.CH3.ClH.Pd/c1-30(2,3)41-29(39)38-18-25(31-19-38)20-7-9-23(10-8-20)33-27-16-24(34-28(35-27)37-11-13-40-14-12-37)21-5-6-22-17-32-36(4)26(22)15-21;1-32-23-12-18(2-3-19(23)14-28-32)21-13-24(31-25(30-21)33-8-10-34-11-9-33)29-20-6-4-17(5-7-20)22-15-26-16-27-22;1-21-14-8-11(2-3-12(14)10-18-21)13-9-15(17)20-16(19-13)22-4-6-23-7-5-22;1-14(2,3)21-13(18)16-8-12(15-9-16)10-4-6-11(7-5-10)17(19)20;1-14(2,3)19-13(18)17-8-12(16-9-17)10-4-6-11(15)7-5-10;13-12(14)8-3-1-7(2-4-8)9-5-10-6-11-9;1-2-4-8(5-3-1)9-6-10-7-11-9;1-2;;;;/h5-10,15-19H,11-14H2,1-4H3,(H,33,34,35);2-7,12-16H,8-11H2,1H3,(H,26,27)(H,29,30,31);2-3,8-10H,4-7H2,1H3;4-9H,1-3H3;4-9H,15H2,1-3H3;1-6H,(H,10,11);1-7H,(H,10,11);2H,1H3;1H4;1H3;1H;/q;;;;;;;;;-1;;
InChIKeyBOPLRVKEWWDEGF-UHFFFAOYSA-N
XLogP23.11
TPSA543.20 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds18
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002422.90
LogP ≤ 523.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride with MolForge

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Related Compounds

tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
CID 157635039
2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
CID 160764434
tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
CID 160851683
tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
CID 161713600
7-bromo-6-chloro-3H-imidazo[4,5-c]pyridine;3-bromo-2-chloro-5-nitropyridin-4-amine;5-bromo-6-chloropyridine-3,4-diamine;tert-butyl (3S)-3-[(7-bromo-6-chloroimidazo[4,5-c]pyridin-3-yl)methyl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[6-chloro-7-(3-fluoro-4-isocyanophenyl)imidazo[4,5-c]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[7-(3-fluoro-4-isocyanophenyl)-6-(1-methylindazol-5-yl)imidazo[4,5-c]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate;2-chloro-5-nitropyridin-4-amine;7-(3-fluoro-4-isocyanophenyl)-6-(1-methylindazol-5-yl)-3-[[(3R)-pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 161945184
tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;5-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-N-methyl-2-(3-morpholin-4-ylpropanimidoyl)aniline;N-[4-(1H-imidazol-5-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;5-(4-nitrophenyl)-1H-imidazole;5-phenyl-1H-imidazole
CID 157440395
CID 157446524
CID 157446524
tert-butyl 4-[[7-[2-(4-aminophenyl)ethylamino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[7-[2-(4-nitrophenyl)ethylamino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;N-[2-[4-[(6-fluoro-1H-benzimidazol-2-yl)amino]phenyl]ethyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine;methane;methanol
CID 157725670
1-[3-(1H-benzimidazol-4-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]-1-morpholin-4-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(2-methylindazol-6-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-pyrrolidin-3-ylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol
CID 157874811
tert-butyl 4-[[7-[2-(4-aminophenyl)ethylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[7-[2-(4-nitrophenyl)ethylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]piperidine-1-carboxylate;N-[2-[4-[(6-fluoro-1H-benzimidazol-2-yl)amino]phenyl]ethyl]-1-(piperidin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine;methane;methanol
CID 158137621
tert-butyl 4-[[7-[2-(4-aminophenyl)ethylamino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[7-[2-(4-nitrophenyl)ethylamino]pyrazolo[4,3-d]pyrimidin-2-yl]methyl]piperidine-1-carboxylate;N-[2-[4-[(6-fluoro-3H-indol-2-yl)methyl]phenyl]ethyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine;methane;methanol
CID 158326555
tert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole
CID 159247344

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride?
The IUPAC name of tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride (CID 158628053) is tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride.
What is the SMILES notation for tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride?
The canonical SMILES for tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride is C.CC(C)(C)OC(=O)n1cnc(-c2ccc(N)cc2)c1.CC(C)(C)OC(=O)n1cnc(-c2ccc([N+](=O)[O-])cc2)c1.CO.Cl.Cn1ncc2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1ncc2ccc(-c3cc(Nc4ccc(-c5cn(C(=O)OC(C)(C)C)cn5)cc4)nc(N4CCOCC4)n3)cc21.Cn1ncc2ccc(-c3cc(Nc4ccc(-c5cnc[nH]5)cc4)nc(N4CCOCC4)n3)cc21.O=[N+]([O-])c1ccc(-c2cnc[nH]2)cc1.[CH3-].[Pd].c1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride?
The InChIKey is BOPLRVKEWWDEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O3.C25H24N8O.C16H16ClN5O.C14H15N3O4.C14H17N3O2.C9H7N3O2.C9H8N2.CH4O.CH4.CH3.ClH.Pd/c1-30(2,3)41-29(39)38-18-25(31-19-38)20-7-9-23(10-8-20)33-27-16-24(34-28(35-27)37-11-13-40-14-12-37)21-5-6-22-17-32-36(4)26(22)15-21;1-32-23-12-18(2-3-19(23)14-28-32)21-13-24(31-25(30-21)33-8-10-34-11-9-33)29-20-6-4-17(5-7-20)22-15-26-16-27-22;1-21-14-8-11(2-3-12(14)10-18-21)13-9-15(17)20-16(19-13)22-4-6-23-7-5-22;1-14(2,3)21-13(18)16-8-12(15-9-16)10-4-6-11(7-5-10)17(19)20;1-14(2,3)19-13(18)17-8-12(16-9-17)10-4-6-11(15)7-5-10;13-12(14)8-3-1-7(2-4-8)9-5-10-6-11-9;1-2-4-8(5-3-1)9-6-10-7-11-9;1-2;;;;/h5-10,15-19H,11-14H2,1-4H3,(H,33,34,35);2-7,12-16H,8-11H2,1H3,(H,26,27)(H,29,30,31);2-3,8-10H,4-7H2,1H3;4-9H,1-3H3;4-9H,15H2,1-3H3;1-6H,(H,10,11);1-7H,(H,10,11);2H,1H3;1H4;1H3;1H;/q;;;;;;;;;-1;;.
What are the key properties of tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride?
tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride has a molecular weight of 2422.90 g/mol, XLogP of 23.11, 18 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride is sourced from PubChem (CID 158628053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).