2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile

C121H144Cl2N22O7S — CID 162103531

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile
SMILESCC(C)C[C@H](CO)N1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(c2cc(-c3cccc(C#N)c3)cs2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(C#N)cc3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](Nc3nc4ccccc4n3C)C2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1cccnc1
InChIInChI=1S/C27H40N6O.C27H37N5O2.C25H23ClN4O.C24H28ClN3O2.C18H16N4OS/c1-32-23-14-7-6-13-22(23)30-26(32)29-21-12-8-11-20(17-21)18-27(24(34)33(2)25(28)31-27)16-15-19-9-4-3-5-10-19;1-32-25(34)27(31-26(32)29,15-14-19-6-3-2-4-7-19)17-21-8-5-9-23(16-21)30-24(33)22-12-10-20(18-28)11-13-22;26-22-8-2-6-19(15-22)18-5-1-7-21(14-18)25(20-9-10-20)23(31)30(24(27)29-25)13-11-17-4-3-12-28-16-17;1-15(2)11-21(14-29)28-22(30)24(18-9-10-18,27-23(28)26)19-7-3-5-16(12-19)17-6-4-8-20(25)13-17;1-22-16(23)18(14-5-6-14,21-17(22)20)15-8-13(10-24-15)12-4-2-3-11(7-12)9-19/h6-7,13-14,19-21H,3-5,8-12,15-18H2,1-2H3,(H2,28,31)(H,29,30);10-13,19,21,23H,2-9,14-17H2,1H3,(H2,29,31)(H,30,33);1-8,12,14-16,20H,9-11,13H2,(H2,27,29);3-8,12-13,15,18,21,29H,9-11,14H2,1-2H3,(H2,26,27);2-4,7-8,10,14H,5-6H2,1H3,(H2,20,21)/t20-,21+,27+;21-,23+,27+;;21-,24?;/m00.1./s1
InChIKeyZFEYQVHPMAYMMU-QIUKSJNMSA-N
MW2121.60 g/mol
LogP20.20
Rot. Bonds30

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile (PubChem CID 162103531) has the molecular formula C121H144Cl2N22O7S and a molecular weight of 2121.60 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile
PubChem CID162103531
Molecular FormulaC121H144Cl2N22O7S
Molecular Weight2121.60 g/mol
Exact Mass2119.07
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile
SMILESCC(C)C[C@H](CO)N1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(c2cc(-c3cccc(C#N)c3)cs2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(C#N)cc3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](Nc3nc4ccccc4n3C)C2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1cccnc1
InChIInChI=1S/C27H40N6O.C27H37N5O2.C25H23ClN4O.C24H28ClN3O2.C18H16N4OS/c1-32-23-14-7-6-13-22(23)30-26(32)29-21-12-8-11-20(17-21)18-27(24(34)33(2)25(28)31-27)16-15-19-9-4-3-5-10-19;1-32-25(34)27(31-26(32)29,15-14-19-6-3-2-4-7-19)17-21-8-5-9-23(16-21)30-24(33)22-12-10-20(18-28)11-13-22;26-22-8-2-6-19(15-22)18-5-1-7-21(14-18)25(20-9-10-20)23(31)30(24(27)29-25)13-11-17-4-3-12-28-16-17;1-15(2)11-21(14-29)28-22(30)24(18-9-10-18,27-23(28)26)19-7-3-5-16(12-19)17-6-4-8-20(25)13-17;1-22-16(23)18(14-5-6-14,21-17(22)20)15-8-13(10-24-15)12-4-2-3-11(7-12)9-19/h6-7,13-14,19-21H,3-5,8-12,15-18H2,1-2H3,(H2,28,31)(H,29,30);10-13,19,21,23H,2-9,14-17H2,1H3,(H2,29,31)(H,30,33);1-8,12,14-16,20H,9-11,13H2,(H2,27,29);3-8,12-13,15,18,21,29H,9-11,14H2,1-2H3,(H2,26,27);2-4,7-8,10,14H,5-6H2,1H3,(H2,20,21)/t20-,21+,27+;21-,23+,27+;;21-,24?;/m00.1./s1
InChIKeyZFEYQVHPMAYMMU-QIUKSJNMSA-N
XLogP20.20
TPSA433.10 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms153
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002121.60
LogP ≤ 520.20
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile (CID 162103531) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile is CC(C)C[C@H](CO)N1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(c2cc(-c3cccc(C#N)c3)cs2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(C#N)cc3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](Nc3nc4ccccc4n3C)C2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1cccnc1.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile?
The InChIKey is ZFEYQVHPMAYMMU-QIUKSJNMSA-N. The full InChI is InChI=1S/C27H40N6O.C27H37N5O2.C25H23ClN4O.C24H28ClN3O2.C18H16N4OS/c1-32-23-14-7-6-13-22(23)30-26(32)29-21-12-8-11-20(17-21)18-27(24(34)33(2)25(28)31-27)16-15-19-9-4-3-5-10-19;1-32-25(34)27(31-26(32)29,15-14-19-6-3-2-4-7-19)17-21-8-5-9-23(16-21)30-24(33)22-12-10-20(18-28)11-13-22;26-22-8-2-6-19(15-22)18-5-1-7-21(14-18)25(20-9-10-20)23(31)30(24(27)29-25)13-11-17-4-3-12-28-16-17;1-15(2)11-21(14-29)28-22(30)24(18-9-10-18,27-23(28)26)19-7-3-5-16(12-19)17-6-4-8-20(25)13-17;1-22-16(23)18(14-5-6-14,21-17(22)20)15-8-13(10-24-15)12-4-2-3-11(7-12)9-19/h6-7,13-14,19-21H,3-5,8-12,15-18H2,1-2H3,(H2,28,31)(H,29,30);10-13,19,21,23H,2-9,14-17H2,1H3,(H2,29,31)(H,30,33);1-8,12,14-16,20H,9-11,13H2,(H2,27,29);3-8,12-13,15,18,21,29H,9-11,14H2,1-2H3,(H2,26,27);2-4,7-8,10,14H,5-6H2,1H3,(H2,20,21)/t20-,21+,27+;21-,23+,27+;;21-,24?;/m00.1./s1.
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile has a molecular weight of 2121.60 g/mol, XLogP of 20.20, 30 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile is sourced from PubChem (CID 162103531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).