3-[2-[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]ethyl]-N,N-dipropylbenzamide;(6S)-2-amino-3,6-dimethyl-6-(3-morpholin-4-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-[1-(4-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxan-4-ylmethyl)benzamide

C120H137BrFN21O11S2 — CID 159411214

About 3-[2-[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]ethyl]-N,N-dipropylbenzamide;(6S)-2-amino-3,6-dimethyl-6-(3-morpholin-4-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-[1-(4-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxan-4-ylmethyl)benzamide

3-[2-[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]ethyl]-N,N-dipropylbenzamide;(6S)-2-amino-3,6-dimethyl-6-(3-morpholin-4-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-[1-(4-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxan-4-ylmethyl)benzamide (PubChem CID 159411214) has the molecular formula C120H137BrFN21O11S2 and a molecular weight of 2212.59 g/mol. Its IUPAC name is 3-[2-[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]ethyl]-N,N-dipropylbenzamide;(6S)-2-amino-3,6-dimethyl-6-(3-morpholin-4-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-[1-(4-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 3-[2-[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]ethyl]-N,N-dipropylbenzamide;(6S)-2-amino-3,6-dimethyl-6-(3-morpholin-4-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-[1-(4-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxan-4-ylmethyl)benzamide
• PubChem CID: 159411214
• Molecular Formula: C120H137BrFN21O11S2
• Molecular Weight: 2212.59 g/mol
• Exact Mass: 2209.94
• IUPAC Name: 3-[2-[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]ethyl]-N,N-dipropylbenzamide;(6S)-2-amino-3,6-dimethyl-6-(3-morpholin-4-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-[1-(4-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxan-4-ylmethyl)benzamide
• SMILES: CCCN(CCC)C(=O)c1cccc(CCN2C(=O)C(C)(c3cccc(Br)c3)N=C2N)c1.CN1C(=O)C[C@@](C)(c2cccc(N3CCOCC3)c2)N=C1N.CN1C(=O)[C@H](C2CCN(c3ccc(F)cc3)CC2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CS(=O)(=O)N1CCC[C@H](CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)C1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCC2CCOCC2)c1
• InChI: InChI=1S/C29H30N4O3.C28H28FN5OS.C25H31BrN4O2.C22H26N4O3S.C16H22N4O2/c30-28-32-29(24-10-3-1-4-11-24,25-12-5-2-6-13-25)27(35)33(28)20-22-8-7-9-23(18-22)26(34)31-19-21-14-16-36-17-15-21;1-28(24-15-21(17-36-24)20-5-3-4-18(14-20)16-30)25(26(35)33(2)27(31)32-28)19-10-12-34(13-11-19)23-8-6-22(29)7-9-23;1-4-13-29(14-5-2)22(31)19-9-6-8-18(16-19)12-15-30-23(32)25(3,28-24(30)27)20-10-7-11-21(26)17-20;1-30(28,29)25-14-8-9-17(15-25)16-26-20(27)22(24-21(26)23,18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-16(11-14(21)19(2)15(17)18-16)12-4-3-5-13(10-12)20-6-8-22-9-7-20/h1-13,18,21H,14-17,19-20H2,(H2,30,32)(H,31,34);3-9,14-15,17,19,25H,10-13H2,1-2H3,(H2,31,32);6-11,16-17H,4-5,12-15H2,1-3H3,(H2,27,28);2-7,10-13,17H,8-9,14-16H2,1H3,(H2,23,24);3-5,10H,6-9,11H2,1-2H3,(H2,17,18)/t;25-,28+;;17-;16-/m.0.00/s1
• InChIKey: LOPGNXRHNYKTDS-KMRSFORUSA-N
• XLogP: 15.40
• TPSA: 428.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2212.59
LogP ≤ 5	15.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]ethyl]-N,N-dipropylbenzamide;(6S)-2-amino-3,6-dimethyl-6-(3-morpholin-4-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-[1-(4-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxan-4-ylmethyl)benzamide?

The IUPAC name of 3-[2-[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]ethyl]-N,N-dipropylbenzamide;(6S)-2-amino-3,6-dimethyl-6-(3-morpholin-4-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-[1-(4-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxan-4-ylmethyl)benzamide (CID 159411214) is 3-[2-[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]ethyl]-N,N-dipropylbenzamide;(6S)-2-amino-3,6-dimethyl-6-(3-morpholin-4-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-[1-(4-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxan-4-ylmethyl)benzamide.

What is the SMILES notation for 3-[2-[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]ethyl]-N,N-dipropylbenzamide;(6S)-2-amino-3,6-dimethyl-6-(3-morpholin-4-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-[1-(4-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxan-4-ylmethyl)benzamide?

The canonical SMILES for 3-[2-[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]ethyl]-N,N-dipropylbenzamide;(6S)-2-amino-3,6-dimethyl-6-(3-morpholin-4-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-[1-(4-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxan-4-ylmethyl)benzamide is CCCN(CCC)C(=O)c1cccc(CCN2C(=O)C(C)(c3cccc(Br)c3)N=C2N)c1.CN1C(=O)C[C@@](C)(c2cccc(N3CCOCC3)c2)N=C1N.CN1C(=O)[C@H](C2CCN(c3ccc(F)cc3)CC2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CS(=O)(=O)N1CCC[C@H](CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)C1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCC2CCOCC2)c1.

What is the InChIKey of 3-[2-[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]ethyl]-N,N-dipropylbenzamide;(6S)-2-amino-3,6-dimethyl-6-(3-morpholin-4-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-[1-(4-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxan-4-ylmethyl)benzamide?

The InChIKey is LOPGNXRHNYKTDS-KMRSFORUSA-N. The full InChI is InChI=1S/C29H30N4O3.C28H28FN5OS.C25H31BrN4O2.C22H26N4O3S.C16H22N4O2/c30-28-32-29(24-10-3-1-4-11-24,25-12-5-2-6-13-25)27(35)33(28)20-22-8-7-9-23(18-22)26(34)31-19-21-14-16-36-17-15-21;1-28(24-15-21(17-36-24)20-5-3-4-18(14-20)16-30)25(26(35)33(2)27(31)32-28)19-10-12-34(13-11-19)23-8-6-22(29)7-9-23;1-4-13-29(14-5-2)22(31)19-9-6-8-18(16-19)12-15-30-23(32)25(3,28-24(30)27)20-10-7-11-21(26)17-20;1-30(28,29)25-14-8-9-17(15-25)16-26-20(27)22(24-21(26)23,18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-16(11-14(21)19(2)15(17)18-16)12-4-3-5-13(10-12)20-6-8-22-9-7-20/h1-13,18,21H,14-17,19-20H2,(H2,30,32)(H,31,34);3-9,14-15,17,19,25H,10-13H2,1-2H3,(H2,31,32);6-11,16-17H,4-5,12-15H2,1-3H3,(H2,27,28);2-7,10-13,17H,8-9,14-16H2,1H3,(H2,23,24);3-5,10H,6-9,11H2,1-2H3,(H2,17,18)/t;25-,28+;;17-;16-/m.0.00/s1.

What are the key properties of 3-[2-[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]ethyl]-N,N-dipropylbenzamide;(6S)-2-amino-3,6-dimethyl-6-(3-morpholin-4-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-[1-(4-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxan-4-ylmethyl)benzamide?

3-[2-[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]ethyl]-N,N-dipropylbenzamide;(6S)-2-amino-3,6-dimethyl-6-(3-morpholin-4-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-[1-(4-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 2212.59 g/mol, XLogP of 15.40, 27 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]ethyl]-N,N-dipropylbenzamide;(6S)-2-amino-3,6-dimethyl-6-(3-morpholin-4-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-[1-(4-fluorophenyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 159411214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).