2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]-5-chlorobenzonitrile;2-amino-3-[[3-(4-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-[5-(2-amino-1-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile;(6R)-6-(3-bromophenyl)-5,5-dimethyl-2-methylimino-1,3-diazinan-4-one;(6S)-2-methylimino-6'-[3-(trifluoromethoxy)phenyl]spiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one

C128H126BrClF4N22O10S3 — CID 158950920

About 2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]-5-chlorobenzonitrile;2-amino-3-[[3-(4-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-[5-(2-amino-1-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile;(6R)-6-(3-bromophenyl)-5,5-dimethyl-2-methylimino-1,3-diazinan-4-one;(6S)-2-methylimino-6'-[3-(trifluoromethoxy)phenyl]spiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one

2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]-5-chlorobenzonitrile;2-amino-3-[[3-(4-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-[5-(2-amino-1-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile;(6R)-6-(3-bromophenyl)-5,5-dimethyl-2-methylimino-1,3-diazinan-4-one;(6S)-2-methylimino-6'-[3-(trifluoromethoxy)phenyl]spiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one (PubChem CID 158950920) has the molecular formula C128H126BrClF4N22O10S3 and a molecular weight of 2420.11 g/mol. Its IUPAC name is 2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]-5-chlorobenzonitrile;2-amino-3-[[3-(4-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-[5-(2-amino-1-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile;(6R)-6-(3-bromophenyl)-5,5-dimethyl-2-methylimino-1,3-diazinan-4-one;(6S)-2-methylimino-6'-[3-(trifluoromethoxy)phenyl]spiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one.

Molecular Properties

• Compound Name: 2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]-5-chlorobenzonitrile;2-amino-3-[[3-(4-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-[5-(2-amino-1-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile;(6R)-6-(3-bromophenyl)-5,5-dimethyl-2-methylimino-1,3-diazinan-4-one;(6S)-2-methylimino-6'-[3-(trifluoromethoxy)phenyl]spiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one
• PubChem CID: 158950920
• Molecular Formula: C128H126BrClF4N22O10S3
• Molecular Weight: 2420.11 g/mol
• Exact Mass: 2416.80
• IUPAC Name: 2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]-5-chlorobenzonitrile;2-amino-3-[[3-(4-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-[5-(2-amino-1-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile;(6R)-6-(3-bromophenyl)-5,5-dimethyl-2-methylimino-1,3-diazinan-4-one;(6S)-2-methylimino-6'-[3-(trifluoromethoxy)phenyl]spiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one
• SMILES: C/N=C1\NC(=O)C(C)(C)[C@@H](c2cccc(Br)c2)N1.C/N=C1\NC(=O)C[C@]2(CCCc3ccc(-c4cccc(OC(F)(F)F)c4)cc32)N1.CC(C)C1(c2cc(-c3ccc(F)c(C#N)c3)cs2)CC(=O)N(C)C(N)=N1.CN1C(=O)[C@H](C2CC2)[C@@](C)(c2ccc(-c3cc(Cl)cc(C#N)c3)s2)N=C1N.COc1ccncc1-c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1
• InChI: InChI=1S/C28H24N4O2.C27H28N4O3S.C21H20F3N3O2.C20H19ClN4OS.C19H19FN4OS.C13H16BrN3O/c1-34-25-15-16-30-18-24(25)21-10-8-9-20(17-21)19-32-26(33)28(31-27(32)29,22-11-4-2-5-12-22)23-13-6-3-7-14-23;28-26-29-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)25(32)31(26)20-21-11-10-18-30(19-21)35(33,34)24-16-8-3-9-17-24;1-25-19-26-18(28)12-20(27-19)9-3-5-13-7-8-15(11-17(13)20)14-4-2-6-16(10-14)29-21(22,23)24;1-20(17(12-3-4-12)18(26)25(2)19(23)24-20)16-6-5-15(27-16)13-7-11(10-22)8-14(21)9-13;1-11(2)19(8-17(25)24(3)18(22)23-19)16-7-14(10-26-16)12-4-5-15(20)13(6-12)9-21;1-13(2)10(8-5-4-6-9(14)7-8)16-12(15-3)17-11(13)18/h2-18H,19H2,1H3,(H2,29,31);1-9,12-17,21H,10-11,18-20H2,(H2,28,29);2,4,6-8,10-11H,3,5,9,12H2,1H3,(H2,25,26,27,28);5-9,12,17H,3-4H2,1-2H3,(H2,23,24);4-7,10-11H,8H2,1-3H3,(H2,22,23);4-7,10H,1-3H3,(H2,15,16,17,18)/t;21-;20-;17-,20+;;10-/m.000.1/s1
• InChIKey: JLKLVJJZBBOFLQ-OIWGZMOBSA-N
• XLogP: 21.07
• TPSA: 458.05 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2420.11
LogP ≤ 5	21.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]-5-chlorobenzonitrile;2-amino-3-[[3-(4-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-[5-(2-amino-1-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile;(6R)-6-(3-bromophenyl)-5,5-dimethyl-2-methylimino-1,3-diazinan-4-one;(6S)-2-methylimino-6'-[3-(trifluoromethoxy)phenyl]spiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one?

The IUPAC name of 2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]-5-chlorobenzonitrile;2-amino-3-[[3-(4-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-[5-(2-amino-1-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile;(6R)-6-(3-bromophenyl)-5,5-dimethyl-2-methylimino-1,3-diazinan-4-one;(6S)-2-methylimino-6'-[3-(trifluoromethoxy)phenyl]spiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one (CID 158950920) is 2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]-5-chlorobenzonitrile;2-amino-3-[[3-(4-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-[5-(2-amino-1-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile;(6R)-6-(3-bromophenyl)-5,5-dimethyl-2-methylimino-1,3-diazinan-4-one;(6S)-2-methylimino-6'-[3-(trifluoromethoxy)phenyl]spiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one.

What is the SMILES notation for 2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]-5-chlorobenzonitrile;2-amino-3-[[3-(4-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-[5-(2-amino-1-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile;(6R)-6-(3-bromophenyl)-5,5-dimethyl-2-methylimino-1,3-diazinan-4-one;(6S)-2-methylimino-6'-[3-(trifluoromethoxy)phenyl]spiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one?

The canonical SMILES for 2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]-5-chlorobenzonitrile;2-amino-3-[[3-(4-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-[5-(2-amino-1-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile;(6R)-6-(3-bromophenyl)-5,5-dimethyl-2-methylimino-1,3-diazinan-4-one;(6S)-2-methylimino-6'-[3-(trifluoromethoxy)phenyl]spiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one is C/N=C1\NC(=O)C(C)(C)[C@@H](c2cccc(Br)c2)N1.C/N=C1\NC(=O)C[C@]2(CCCc3ccc(-c4cccc(OC(F)(F)F)c4)cc32)N1.CC(C)C1(c2cc(-c3ccc(F)c(C#N)c3)cs2)CC(=O)N(C)C(N)=N1.CN1C(=O)[C@H](C2CC2)[C@@](C)(c2ccc(-c3cc(Cl)cc(C#N)c3)s2)N=C1N.COc1ccncc1-c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1.

What is the InChIKey of 2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]-5-chlorobenzonitrile;2-amino-3-[[3-(4-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-[5-(2-amino-1-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile;(6R)-6-(3-bromophenyl)-5,5-dimethyl-2-methylimino-1,3-diazinan-4-one;(6S)-2-methylimino-6'-[3-(trifluoromethoxy)phenyl]spiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one?

The InChIKey is JLKLVJJZBBOFLQ-OIWGZMOBSA-N. The full InChI is InChI=1S/C28H24N4O2.C27H28N4O3S.C21H20F3N3O2.C20H19ClN4OS.C19H19FN4OS.C13H16BrN3O/c1-34-25-15-16-30-18-24(25)21-10-8-9-20(17-21)19-32-26(33)28(31-27(32)29,22-11-4-2-5-12-22)23-13-6-3-7-14-23;28-26-29-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)25(32)31(26)20-21-11-10-18-30(19-21)35(33,34)24-16-8-3-9-17-24;1-25-19-26-18(28)12-20(27-19)9-3-5-13-7-8-15(11-17(13)20)14-4-2-6-16(10-14)29-21(22,23)24;1-20(17(12-3-4-12)18(26)25(2)19(23)24-20)16-6-5-15(27-16)13-7-11(10-22)8-14(21)9-13;1-11(2)19(8-17(25)24(3)18(22)23-19)16-7-14(10-26-16)12-4-5-15(20)13(6-12)9-21;1-13(2)10(8-5-4-6-9(14)7-8)16-12(15-3)17-11(13)18/h2-18H,19H2,1H3,(H2,29,31);1-9,12-17,21H,10-11,18-20H2,(H2,28,29);2,4,6-8,10-11H,3,5,9,12H2,1H3,(H2,25,26,27,28);5-9,12,17H,3-4H2,1-2H3,(H2,23,24);4-7,10-11H,8H2,1-3H3,(H2,22,23);4-7,10H,1-3H3,(H2,15,16,17,18)/t;21-;20-;17-,20+;;10-/m.000.1/s1.

What are the key properties of 2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]-5-chlorobenzonitrile;2-amino-3-[[3-(4-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-[5-(2-amino-1-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile;(6R)-6-(3-bromophenyl)-5,5-dimethyl-2-methylimino-1,3-diazinan-4-one;(6S)-2-methylimino-6'-[3-(trifluoromethoxy)phenyl]spiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one?

2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]-5-chlorobenzonitrile;2-amino-3-[[3-(4-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-[5-(2-amino-1-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile;(6R)-6-(3-bromophenyl)-5,5-dimethyl-2-methylimino-1,3-diazinan-4-one;(6S)-2-methylimino-6'-[3-(trifluoromethoxy)phenyl]spiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one has a molecular weight of 2420.11 g/mol, XLogP of 21.07, 21 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]-5-chlorobenzonitrile;2-amino-3-[[3-(4-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-[5-(2-amino-1-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile;(6R)-6-(3-bromophenyl)-5,5-dimethyl-2-methylimino-1,3-diazinan-4-one;(6S)-2-methylimino-6'-[3-(trifluoromethoxy)phenyl]spiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one is sourced from PubChem (CID 158950920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).