3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclohexylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-ethenylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]benzamide

C130H150ClF2N23O10 — CID 159781867

About 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclohexylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-ethenylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]benzamide

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclohexylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-ethenylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]benzamide (PubChem CID 159781867) has the molecular formula C130H150ClF2N23O10 and a molecular weight of 2268.23 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclohexylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-ethenylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclohexylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-ethenylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]benzamide
• PubChem CID: 159781867
• Molecular Formula: C130H150ClF2N23O10
• Molecular Weight: 2268.23 g/mol
• Exact Mass: 2266.16
• IUPAC Name: 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclohexylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-ethenylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]benzamide
• SMILES: C=Cc1cccc([C@@]2(C)N=C(N)N(C)C(=O)[C@H]2c2ccc(C(C)(F)F)cc2)c1.CN1C(=O)C[C@@](C)(c2cnc3n2CCCC3)N=C1N.COc1ccc(CNCC2CCCCC2)c(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.COc1ccc(CNCc2cccnc2)c(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCc2ccccc2Cl)c1
• InChI: InChI=1S/C33H45N5O3.C32H38N6O3.C30H25ClN4O2.C22H23F2N3O.C13H19N5O/c1-23(39)37-16-14-25(15-17-37)22-38-31(40)33(2,36-32(38)34)28-11-7-10-26(18-28)30-19-29(41-3)13-12-27(30)21-35-20-24-8-5-4-6-9-24;1-22(39)37-14-11-23(12-15-37)21-38-30(40)32(2,36-31(38)33)27-8-4-7-25(16-27)29-17-28(41-3)10-9-26(29)20-35-19-24-6-5-13-34-18-24;31-26-17-8-7-11-23(26)19-33-27(36)22-12-9-10-21(18-22)20-35-28(37)30(34-29(35)32,24-13-3-1-4-14-24)25-15-5-2-6-16-25;1-5-14-7-6-8-17(13-14)21(2)18(19(28)27(4)20(25)26-21)15-9-11-16(12-10-15)22(3,23)24;1-13(7-11(19)17(2)12(14)16-13)9-8-15-10-5-3-4-6-18(9)10/h7,10-13,18-19,24-25,35H,4-6,8-9,14-17,20-22H2,1-3H3,(H2,34,36);4-10,13,16-18,23,35H,11-12,14-15,19-21H2,1-3H3,(H2,33,36);1-18H,19-20H2,(H2,32,34)(H,33,36);5-13,18H,1H2,2-4H3,(H2,25,26);8H,3-7H2,1-2H3,(H2,14,16)/t;;;18-,21-;13-/m...10/s1
• InChIKey: NHLQAIJQPGHLKM-BIUFXKSOSA-N
• XLogP: 18.05
• TPSA: 436.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 30
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2268.23
LogP ≤ 5	18.05
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclohexylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-ethenylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]benzamide?

The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclohexylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-ethenylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]benzamide (CID 159781867) is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclohexylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-ethenylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]benzamide.

What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclohexylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-ethenylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]benzamide?

The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclohexylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-ethenylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]benzamide is C=Cc1cccc([C@@]2(C)N=C(N)N(C)C(=O)[C@H]2c2ccc(C(C)(F)F)cc2)c1.CN1C(=O)C[C@@](C)(c2cnc3n2CCCC3)N=C1N.COc1ccc(CNCC2CCCCC2)c(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.COc1ccc(CNCc2cccnc2)c(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCc2ccccc2Cl)c1.

What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclohexylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-ethenylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]benzamide?

The InChIKey is NHLQAIJQPGHLKM-BIUFXKSOSA-N. The full InChI is InChI=1S/C33H45N5O3.C32H38N6O3.C30H25ClN4O2.C22H23F2N3O.C13H19N5O/c1-23(39)37-16-14-25(15-17-37)22-38-31(40)33(2,36-32(38)34)28-11-7-10-26(18-28)30-19-29(41-3)13-12-27(30)21-35-20-24-8-5-4-6-9-24;1-22(39)37-14-11-23(12-15-37)21-38-30(40)32(2,36-31(38)33)27-8-4-7-25(16-27)29-17-28(41-3)10-9-26(29)20-35-19-24-6-5-13-34-18-24;31-26-17-8-7-11-23(26)19-33-27(36)22-12-9-10-21(18-22)20-35-28(37)30(34-29(35)32,24-13-3-1-4-14-24)25-15-5-2-6-16-25;1-5-14-7-6-8-17(13-14)21(2)18(19(28)27(4)20(25)26-21)15-9-11-16(12-10-15)22(3,23)24;1-13(7-11(19)17(2)12(14)16-13)9-8-15-10-5-3-4-6-18(9)10/h7,10-13,18-19,24-25,35H,4-6,8-9,14-17,20-22H2,1-3H3,(H2,34,36);4-10,13,16-18,23,35H,11-12,14-15,19-21H2,1-3H3,(H2,33,36);1-18H,19-20H2,(H2,32,34)(H,33,36);5-13,18H,1H2,2-4H3,(H2,25,26);8H,3-7H2,1-2H3,(H2,14,16)/t;;;18-,21-;13-/m...10/s1.

What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclohexylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-ethenylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]benzamide?

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclohexylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-ethenylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]benzamide has a molecular weight of 2268.23 g/mol, XLogP of 18.05, 30 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclohexylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-ethenylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 159781867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).