N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;2-amino-5,5-diphenyl-3-[[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]imidazol-4-one

C94H110ClFN16O6 — CID 159479271

About N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;2-amino-5,5-diphenyl-3-[[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]imidazol-4-one

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;2-amino-5,5-diphenyl-3-[[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]imidazol-4-one (PubChem CID 159479271) has the molecular formula C94H110ClFN16O6 and a molecular weight of 1614.47 g/mol. Its IUPAC name is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;2-amino-5,5-diphenyl-3-[[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]imidazol-4-one.

Molecular Properties

• Compound Name: N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;2-amino-5,5-diphenyl-3-[[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]imidazol-4-one
• PubChem CID: 159479271
• Molecular Formula: C94H110ClFN16O6
• Molecular Weight: 1614.47 g/mol
• Exact Mass: 1612.85
• IUPAC Name: N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;2-amino-5,5-diphenyl-3-[[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]imidazol-4-one
• SMILES: CC(=O)Nc1cccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)c1.CC(=O)c1cccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)c1.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccnc(Cl)c3F)C2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1
• InChI: InChI=1S/C31H32N4O2.C25H35ClFN5O2.C19H22N4O.C19H21N3O/c32-30-33-31(24-12-6-2-7-13-24,25-14-8-3-9-15-25)29(37)35(30)21-22-16-18-34(19-17-22)28(36)27-20-26(27)23-10-4-1-5-11-23;1-32-23(34)25(31-24(32)28,12-10-16-6-3-2-4-7-16)15-17-8-5-9-18(14-17)30-22(33)19-11-13-29-21(26)20(19)27;1-13(24)21-17-9-5-7-15(11-17)14-6-4-8-16(10-14)19(2)12-23(3)18(20)22-19;1-13(23)14-6-4-7-15(10-14)16-8-5-9-17(11-16)19(2)12-22(3)18(20)21-19/h1-15,22,26-27H,16-21H2,(H2,32,33);11,13,16-18H,2-10,12,14-15H2,1H3,(H2,28,31)(H,30,33);4-11H,12H2,1-3H3,(H2,20,22)(H,21,24);4-11H,12H2,1-3H3,(H2,20,21)/t26-,27+;17-,18+,25+;;/m00../s1
• InChIKey: LWUGXNULNHRLTR-YHODDIQLSA-N
• XLogP: 14.39
• TPSA: 309.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1614.47
LogP ≤ 5	14.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;2-amino-5,5-diphenyl-3-[[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]imidazol-4-one?

The IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;2-amino-5,5-diphenyl-3-[[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]imidazol-4-one (CID 159479271) is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;2-amino-5,5-diphenyl-3-[[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]imidazol-4-one.

What is the SMILES notation for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;2-amino-5,5-diphenyl-3-[[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]imidazol-4-one?

The canonical SMILES for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;2-amino-5,5-diphenyl-3-[[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]imidazol-4-one is CC(=O)Nc1cccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)c1.CC(=O)c1cccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)c1.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccnc(Cl)c3F)C2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1.

What is the InChIKey of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;2-amino-5,5-diphenyl-3-[[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]imidazol-4-one?

The InChIKey is LWUGXNULNHRLTR-YHODDIQLSA-N. The full InChI is InChI=1S/C31H32N4O2.C25H35ClFN5O2.C19H22N4O.C19H21N3O/c32-30-33-31(24-12-6-2-7-13-24,25-14-8-3-9-15-25)29(37)35(30)21-22-16-18-34(19-17-22)28(36)27-20-26(27)23-10-4-1-5-11-23;1-32-23(34)25(31-24(32)28,12-10-16-6-3-2-4-7-16)15-17-8-5-9-18(14-17)30-22(33)19-11-13-29-21(26)20(19)27;1-13(24)21-17-9-5-7-15(11-17)14-6-4-8-16(10-14)19(2)12-23(3)18(20)22-19;1-13(23)14-6-4-7-15(10-14)16-8-5-9-17(11-16)19(2)12-22(3)18(20)21-19/h1-15,22,26-27H,16-21H2,(H2,32,33);11,13,16-18H,2-10,12,14-15H2,1H3,(H2,28,31)(H,30,33);4-11H,12H2,1-3H3,(H2,20,22)(H,21,24);4-11H,12H2,1-3H3,(H2,20,21)/t26-,27+;17-,18+,25+;;/m00../s1.

What are the key properties of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;2-amino-5,5-diphenyl-3-[[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]imidazol-4-one?

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;2-amino-5,5-diphenyl-3-[[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]imidazol-4-one has a molecular weight of 1614.47 g/mol, XLogP of 14.39, 19 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-3-fluoropyridine-4-carboxamide;N-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]acetamide;1-[3-[3-(2-amino-3,5-dimethyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone;2-amino-5,5-diphenyl-3-[[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]imidazol-4-one is sourced from PubChem (CID 159479271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).