(5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide

C120H129Cl3FN17O9 — CID 159627097

IUPAC(5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](CC(=O)CC(=O)c3ccccc3)C2)N=C1N.CN1C(=O)[C@](c2cccc(-c3cc(Cl)cnc3F)c2)(C2CC2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(CC(=O)CCC2CCCC2)c1
InChIInChI=1S/C31H33N3O2.C29H41N3O3.C22H17Cl2N3O.C20H22N4O2.C18H16ClFN4O/c32-30-33-31(26-14-3-1-4-15-26,27-16-5-2-6-17-27)29(36)34(30)22-25-13-9-12-24(20-25)21-28(35)19-18-23-10-7-8-11-23;1-32-27(35)29(31-28(32)30,16-15-21-9-4-2-5-10-21)20-23-12-8-11-22(17-23)18-25(33)19-26(34)24-13-6-3-7-14-24;23-18-12-11-15(13-19(18)24)14-27-20(28)22(26-21(27)25,16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-13-22-17(25)14-24-18(26)20(23-19(24)21,15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-24-16(25)18(11-5-6-11,23-17(24)21)12-4-2-3-10(7-12)14-8-13(19)9-22-15(14)20/h1-6,9,12-17,20,23H,7-8,10-11,18-19,21-22H2,(H2,32,33);3,6-7,13-14,21-23H,2,4-5,8-12,15-20H2,1H3,(H2,30,31);1-13H,14H2,(H2,25,26);3-12H,2,13-14H2,1H3,(H2,21,23)(H,22,25);2-4,7-9,11H,5-6H2,1H3,(H2,21,23)/t;22-,23+,29-;;;18-/m.1..1/s1
InChIKeyMOQFMEJXZCUPHA-PRJWGQJZSA-N
MW2078.82 g/mol
LogP19.81
Rot. Bonds32

About (5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide

(5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide (PubChem CID 159627097) has the molecular formula C120H129Cl3FN17O9 and a molecular weight of 2078.82 g/mol. Its IUPAC name is (5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name(5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide
PubChem CID159627097
Molecular FormulaC120H129Cl3FN17O9
Molecular Weight2078.82 g/mol
Exact Mass2075.92
IUPAC Name(5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](CC(=O)CC(=O)c3ccccc3)C2)N=C1N.CN1C(=O)[C@](c2cccc(-c3cc(Cl)cnc3F)c2)(C2CC2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(CC(=O)CCC2CCCC2)c1
InChIInChI=1S/C31H33N3O2.C29H41N3O3.C22H17Cl2N3O.C20H22N4O2.C18H16ClFN4O/c32-30-33-31(26-14-3-1-4-15-26,27-16-5-2-6-17-27)29(36)34(30)22-25-13-9-12-24(20-25)21-28(35)19-18-23-10-7-8-11-23;1-32-27(35)29(31-28(32)30,16-15-21-9-4-2-5-10-21)20-23-12-8-11-22(17-23)18-25(33)19-26(34)24-13-6-3-7-14-24;23-18-12-11-15(13-19(18)24)14-27-20(28)22(26-21(27)25,16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-13-22-17(25)14-24-18(26)20(23-19(24)21,15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-24-16(25)18(11-5-6-11,23-17(24)21)12-4-2-3-10(7-12)14-8-13(19)9-22-15(14)20/h1-6,9,12-17,20,23H,7-8,10-11,18-19,21-22H2,(H2,32,33);3,6-7,13-14,21-23H,2,4-5,8-12,15-20H2,1H3,(H2,30,31);1-13H,14H2,(H2,25,26);3-12H,2,13-14H2,1H3,(H2,21,23)(H,22,25);2-4,7-9,11H,5-6H2,1H3,(H2,21,23)/t;22-,23+,29-;;;18-/m.1..1/s1
InChIKeyMOQFMEJXZCUPHA-PRJWGQJZSA-N
XLogP19.81
TPSA386.65 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002078.82
LogP ≤ 519.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide?
The IUPAC name of (5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide (CID 159627097) is (5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide.
What is the SMILES notation for (5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide?
The canonical SMILES for (5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide is CCCNC(=O)CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](CC(=O)CC(=O)c3ccccc3)C2)N=C1N.CN1C(=O)[C@](c2cccc(-c3cc(Cl)cnc3F)c2)(C2CC2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(CC(=O)CCC2CCCC2)c1.
What is the InChIKey of (5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide?
The InChIKey is MOQFMEJXZCUPHA-PRJWGQJZSA-N. The full InChI is InChI=1S/C31H33N3O2.C29H41N3O3.C22H17Cl2N3O.C20H22N4O2.C18H16ClFN4O/c32-30-33-31(26-14-3-1-4-15-26,27-16-5-2-6-17-27)29(36)34(30)22-25-13-9-12-24(20-25)21-28(35)19-18-23-10-7-8-11-23;1-32-27(35)29(31-28(32)30,16-15-21-9-4-2-5-10-21)20-23-12-8-11-22(17-23)18-25(33)19-26(34)24-13-6-3-7-14-24;23-18-12-11-15(13-19(18)24)14-27-20(28)22(26-21(27)25,16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-13-22-17(25)14-24-18(26)20(23-19(24)21,15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-24-16(25)18(11-5-6-11,23-17(24)21)12-4-2-3-10(7-12)14-8-13(19)9-22-15(14)20/h1-6,9,12-17,20,23H,7-8,10-11,18-19,21-22H2,(H2,32,33);3,6-7,13-14,21-23H,2,4-5,8-12,15-20H2,1H3,(H2,30,31);1-13H,14H2,(H2,25,26);3-12H,2,13-14H2,1H3,(H2,21,23)(H,22,25);2-4,7-9,11H,5-6H2,1H3,(H2,21,23)/t;22-,23+,29-;;;18-/m.1..1/s1.
What are the key properties of (5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide?
(5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide has a molecular weight of 2078.82 g/mol, XLogP of 19.81, 32 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;4-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylbutane-1,3-dione;2-amino-3-[[3-(4-cyclopentyl-2-oxobutyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[(3,4-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-propylacetamide is sourced from PubChem (CID 159627097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).