2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one

C145H162ClF3N22O12 — CID 157458631

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.COc1cccc(-c2cc(C3(c4ccccc4)N=C(N)N(C)C3=O)ccc2F)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)COc2ccc(F)cc2)CC1.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCCN1CCCC1=O.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C29H29FN4O3.C25H36N4O3.C25H42N4O2.C23H20FN3O2.C22H18ClN3O.C21H17FN4O/c30-24-11-13-25(14-12-24)37-20-26(35)33-17-15-21(16-18-33)19-34-27(36)29(32-28(34)31,22-7-3-1-4-8-22)23-9-5-2-6-10-23;26-24-27-25(17-20-9-5-2-6-10-20,16-15-19-7-3-1-4-8-19)23(30)28(24)18-21-11-13-22(14-12-21)29(31)32;26-24-27-25(19-21-11-5-2-6-12-21,15-14-20-9-3-1-4-10-20)23(31)29(24)18-8-17-28-16-7-13-22(28)30;1-27-21(28)23(26-22(27)25,16-8-4-3-5-9-16)17-11-12-20(24)19(14-17)15-7-6-10-18(13-15)29-2;1-26-20(27)22(25-21(26)24,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-19(23)14-16;1-26-19(27)21(25-20(26)23,15-7-3-2-4-8-15)16-9-10-18(22)17(12-16)14-6-5-11-24-13-14/h1-14,21H,15-20H2,(H2,31,32);11-14,19-20H,1-10,15-18H2,(H2,26,27);20-21H,1-19H2,(H2,26,27);3-14H,1-2H3,(H2,25,26);2-14H,1H3,(H2,24,25);2-13H,1H3,(H2,23,25)/t;2*25-;;;/m.11.../s1
InChIKeyBTQUVOHWNCIYDU-GWBSJFBMSA-N
MW2497.48 g/mol
LogP23.58
Rot. Bonds34

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one (PubChem CID 157458631) has the molecular formula C145H162ClF3N22O12 and a molecular weight of 2497.48 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one
PubChem CID157458631
Molecular FormulaC145H162ClF3N22O12
Molecular Weight2497.48 g/mol
Exact Mass2495.24
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.COc1cccc(-c2cc(C3(c4ccccc4)N=C(N)N(C)C3=O)ccc2F)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)COc2ccc(F)cc2)CC1.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCCN1CCCC1=O.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C29H29FN4O3.C25H36N4O3.C25H42N4O2.C23H20FN3O2.C22H18ClN3O.C21H17FN4O/c30-24-11-13-25(14-12-24)37-20-26(35)33-17-15-21(16-18-33)19-34-27(36)29(32-28(34)31,22-7-3-1-4-8-22)23-9-5-2-6-10-23;26-24-27-25(17-20-9-5-2-6-10-20,16-15-19-7-3-1-4-8-19)23(30)28(24)18-21-11-13-22(14-12-21)29(31)32;26-24-27-25(19-21-11-5-2-6-12-21,15-14-20-9-3-1-4-10-20)23(31)29(24)18-8-17-28-16-7-13-22(28)30;1-27-21(28)23(26-22(27)25,16-8-4-3-5-9-16)17-11-12-20(24)19(14-17)15-7-6-10-18(13-15)29-2;1-26-20(27)22(25-21(26)24,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-19(23)14-16;1-26-19(27)21(25-20(26)23,15-7-3-2-4-8-15)16-9-10-18(22)17(12-16)14-6-5-11-24-13-14/h1-14,21H,15-20H2,(H2,31,32);11-14,19-20H,1-10,15-18H2,(H2,26,27);20-21H,1-19H2,(H2,26,27);3-14H,1-2H3,(H2,25,26);2-14H,1H3,(H2,24,25);2-13H,1H3,(H2,23,25)/t;2*25-;;;/m.11.../s1
InChIKeyBTQUVOHWNCIYDU-GWBSJFBMSA-N
XLogP23.58
TPSA467.25 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002497.48
LogP ≤ 523.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one with MolForge

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Related Compounds

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-methoxyphenyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methoxyethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one
CID 158052034
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-2-imino-1,5-diphenylimidazolidin-4-one
CID 159060593
(6S)-2-amino-6-[3-(2-chloro-5-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3,5-dichlorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide;5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
CID 159260040
(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 159762181
2-Amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
CID 160168285
(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S)-3-(pyridin-3-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 160783356
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
CID 160912600
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(1-methoxypyridin-1-ium-3-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 161358562
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
CID 161373182
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 161398818
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 162047238

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one (CID 157458631) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one is CN1C(=O)C(c2ccccc2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.COc1cccc(-c2cc(C3(c4ccccc4)N=C(N)N(C)C3=O)ccc2F)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)COc2ccc(F)cc2)CC1.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCCN1CCCC1=O.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one?
The InChIKey is BTQUVOHWNCIYDU-GWBSJFBMSA-N. The full InChI is InChI=1S/C29H29FN4O3.C25H36N4O3.C25H42N4O2.C23H20FN3O2.C22H18ClN3O.C21H17FN4O/c30-24-11-13-25(14-12-24)37-20-26(35)33-17-15-21(16-18-33)19-34-27(36)29(32-28(34)31,22-7-3-1-4-8-22)23-9-5-2-6-10-23;26-24-27-25(17-20-9-5-2-6-10-20,16-15-19-7-3-1-4-8-19)23(30)28(24)18-21-11-13-22(14-12-21)29(31)32;26-24-27-25(19-21-11-5-2-6-12-21,15-14-20-9-3-1-4-10-20)23(31)29(24)18-8-17-28-16-7-13-22(28)30;1-27-21(28)23(26-22(27)25,16-8-4-3-5-9-16)17-11-12-20(24)19(14-17)15-7-6-10-18(13-15)29-2;1-26-20(27)22(25-21(26)24,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-19(23)14-16;1-26-19(27)21(25-20(26)23,15-7-3-2-4-8-15)16-9-10-18(22)17(12-16)14-6-5-11-24-13-14/h1-14,21H,15-20H2,(H2,31,32);11-14,19-20H,1-10,15-18H2,(H2,26,27);20-21H,1-19H2,(H2,26,27);3-14H,1-2H3,(H2,25,26);2-14H,1H3,(H2,24,25);2-13H,1H3,(H2,23,25)/t;2*25-;;;/m.11.../s1.
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one has a molecular weight of 2497.48 g/mol, XLogP of 23.58, 34 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 157458631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).