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

C70H89ClN12O6 — CID 158052034

About 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

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 (PubChem CID 158052034) has the molecular formula C70H89ClN12O6 and a molecular weight of 1230.01 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158052034
• Molecular Formula: C70H89ClN12O6
• Molecular Weight: 1230.01 g/mol
• Exact Mass: 1228.67
• IUPAC Name: 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
• SMILES: CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@H](Nc3cccnc3)C2)N=C1N.COCCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.COc1cccc(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1
• InChI: InChI=1S/C25H30N4O3.C24H37N5O.C21H22ClN3O2/c1-17(30)28-12-10-18(11-13-28)16-29-23(31)25(2,27-24(29)26)21-8-4-6-19(14-21)20-7-5-9-22(15-20)32-3;1-29-22(30)24(28-23(29)25,13-12-18-7-3-2-4-8-18)16-19-9-5-10-20(15-19)27-21-11-6-14-26-17-21;1-27-11-10-25-19(26)21(16-8-9-16,24-20(25)23)17-6-2-4-14(12-17)15-5-3-7-18(22)13-15/h4-9,14-15,18H,10-13,16H2,1-3H3,(H2,26,27);6,11,14,17-20,27H,2-5,7-10,12-13,15-16H2,1H3,(H2,25,28);2-7,12-13,16H,8-11H2,1H3,(H2,23,24)/t;19-,20-,24+;/m.0./s1
• InChIKey: FJPFHFUSEGMYJX-WQQMLSAESA-N
• XLogP: 10.74
• TPSA: 239.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1230.01
LogP ≤ 5	10.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@H](Nc3cccnc3)C2)N=C1N.COCCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.COc1cccc(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.

What is the InChIKey of 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?

The InChIKey is FJPFHFUSEGMYJX-WQQMLSAESA-N. The full InChI is InChI=1S/C25H30N4O3.C24H37N5O.C21H22ClN3O2/c1-17(30)28-12-10-18(11-13-28)16-29-23(31)25(2,27-24(29)26)21-8-4-6-19(14-21)20-7-5-9-22(15-20)32-3;1-29-22(30)24(28-23(29)25,13-12-18-7-3-2-4-8-18)16-19-9-5-10-20(15-19)27-21-11-6-14-26-17-21;1-27-11-10-25-19(26)21(16-8-9-16,24-20(25)23)17-6-2-4-14(12-17)15-5-3-7-18(22)13-15/h4-9,14-15,18H,10-13,16H2,1-3H3,(H2,26,27);6,11,14,17-20,27H,2-5,7-10,12-13,15-16H2,1H3,(H2,25,28);2-7,12-13,16H,8-11H2,1H3,(H2,23,24)/t;19-,20-,24+;/m.0./s1.

What are the key properties of 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?

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 has a molecular weight of 1230.01 g/mol, XLogP of 10.74, 18 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158052034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).