2-amino-3-[[1-(2-aminoacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(6-methyl-2-pyridinyl)phenyl]imidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-bromothiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[3-[(4S)-2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile

C98H95BrFN21O6S3 — CID 159579579

About 2-amino-3-[[1-(2-aminoacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(6-methyl-2-pyridinyl)phenyl]imidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-bromothiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[3-[(4S)-2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile

2-amino-3-[[1-(2-aminoacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(6-methyl-2-pyridinyl)phenyl]imidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-bromothiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[3-[(4S)-2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile (PubChem CID 159579579) has the molecular formula C98H95BrFN21O6S3 and a molecular weight of 1858.08 g/mol. Its IUPAC name is 2-amino-3-[[1-(2-aminoacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(6-methyl-2-pyridinyl)phenyl]imidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-bromothiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[3-[(4S)-2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 2-amino-3-[[1-(2-aminoacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(6-methyl-2-pyridinyl)phenyl]imidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-bromothiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[3-[(4S)-2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile
• PubChem CID: 159579579
• Molecular Formula: C98H95BrFN21O6S3
• Molecular Weight: 1858.08 g/mol
• Exact Mass: 1855.61
• IUPAC Name: 2-amino-3-[[1-(2-aminoacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(6-methyl-2-pyridinyl)phenyl]imidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-bromothiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[3-[(4S)-2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile
• SMILES: CN1C(=O)C(c2cccs2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@H](c2cccc(-c3cccc(C#N)c3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2scc(-c3ccc(F)c(C#N)c3)c2Br)N=C1N.Cc1cccc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)n1.NCC(=O)N1CCC(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)CC1
• InChI: InChI=1S/C23H27N5O2.C21H18N4OS2.C19H20N4O.C18H16N4O.C17H14BrFN4OS/c24-15-20(29)27-13-11-17(12-14-27)16-28-21(30)23(26-22(28)25,18-7-3-1-4-8-18)19-9-5-2-6-10-19;1-21(17-10-15(12-28-17)14-6-3-5-13(9-14)11-22)18(16-7-4-8-27-16)19(26)25(2)20(23)24-21;1-12-5-3-8-16(21-12)13-6-4-7-15(11-13)19(14-9-10-14)17(24)23(2)18(20)22-19;1-22-17(23)10-16(21-18(22)20)15-7-3-6-14(9-15)13-5-2-4-12(8-13)11-19;1-17(6-13(24)23(2)16(21)22-17)15-14(18)11(8-25-15)9-3-4-12(19)10(5-9)7-20/h1-10,17H,11-16,24H2,(H2,25,26);3-10,12,18H,1-2H3,(H2,23,24);3-8,11,14H,9-10H2,1-2H3,(H2,20,22);2-9,16H,10H2,1H3,(H2,20,21);3-5,8H,6H2,1-2H3,(H2,21,22)/t;18?,21-;;16-;17-/m.1.00/s1
• InChIKey: MIVNCGROPLOMKM-SBFIESNISA-N
• XLogP: 13.89
• TPSA: 424.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1858.08
LogP ≤ 5	13.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[1-(2-aminoacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(6-methyl-2-pyridinyl)phenyl]imidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-bromothiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[3-[(4S)-2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile?

The IUPAC name of 2-amino-3-[[1-(2-aminoacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(6-methyl-2-pyridinyl)phenyl]imidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-bromothiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[3-[(4S)-2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile (CID 159579579) is 2-amino-3-[[1-(2-aminoacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(6-methyl-2-pyridinyl)phenyl]imidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-bromothiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[3-[(4S)-2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile.

What is the SMILES notation for 2-amino-3-[[1-(2-aminoacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(6-methyl-2-pyridinyl)phenyl]imidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-bromothiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[3-[(4S)-2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile?

The canonical SMILES for 2-amino-3-[[1-(2-aminoacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(6-methyl-2-pyridinyl)phenyl]imidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-bromothiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[3-[(4S)-2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile is CN1C(=O)C(c2cccs2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@H](c2cccc(-c3cccc(C#N)c3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2scc(-c3ccc(F)c(C#N)c3)c2Br)N=C1N.Cc1cccc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)n1.NCC(=O)N1CCC(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)CC1.

What is the InChIKey of 2-amino-3-[[1-(2-aminoacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(6-methyl-2-pyridinyl)phenyl]imidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-bromothiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[3-[(4S)-2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile?

The InChIKey is MIVNCGROPLOMKM-SBFIESNISA-N. The full InChI is InChI=1S/C23H27N5O2.C21H18N4OS2.C19H20N4O.C18H16N4O.C17H14BrFN4OS/c24-15-20(29)27-13-11-17(12-14-27)16-28-21(30)23(26-22(28)25,18-7-3-1-4-8-18)19-9-5-2-6-10-19;1-21(17-10-15(12-28-17)14-6-3-5-13(9-14)11-22)18(16-7-4-8-27-16)19(26)25(2)20(23)24-21;1-12-5-3-8-16(21-12)13-6-4-7-15(11-13)19(14-9-10-14)17(24)23(2)18(20)22-19;1-22-17(23)10-16(21-18(22)20)15-7-3-6-14(9-15)13-5-2-4-12(8-13)11-19;1-17(6-13(24)23(2)16(21)22-17)15-14(18)11(8-25-15)9-3-4-12(19)10(5-9)7-20/h1-10,17H,11-16,24H2,(H2,25,26);3-10,12,18H,1-2H3,(H2,23,24);3-8,11,14H,9-10H2,1-2H3,(H2,20,22);2-9,16H,10H2,1H3,(H2,20,21);3-5,8H,6H2,1-2H3,(H2,21,22)/t;18?,21-;;16-;17-/m.1.00/s1.

What are the key properties of 2-amino-3-[[1-(2-aminoacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(6-methyl-2-pyridinyl)phenyl]imidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-bromothiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[3-[(4S)-2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile?

2-amino-3-[[1-(2-aminoacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(6-methyl-2-pyridinyl)phenyl]imidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-bromothiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[3-[(4S)-2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile has a molecular weight of 1858.08 g/mol, XLogP of 13.89, 15 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-[[1-(2-aminoacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(6-methyl-2-pyridinyl)phenyl]imidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-bromothiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[3-[(4S)-2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl]phenyl]benzonitrile is sourced from PubChem (CID 159579579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).