(5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one

C127H185ClN22O7 — CID 157071394

IUPAC(5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one
SMILESCCCC[C@H]1CN(Cc2ccc(CN3C(=O)[C@@](CCC4CCCCC4)(CC4CCCCC4)N=C3N)cc2)C(=O)N1.CN1C(=O)C(C)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)Cc3ccccc3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCc3ccncc3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@H](NCc3ccncc3)C2)N=C1N
InChIInChI=1S/C33H51N5O2.C27H40N4O2.2C25H39N5O.C17H16ClN3O/c1-2-3-14-29-24-37(32(40)35-29)22-27-15-17-28(18-16-27)23-38-30(39)33(36-31(38)34,21-26-12-8-5-9-13-26)20-19-25-10-6-4-7-11-25;1-31-25(33)27(30-26(31)28,16-15-20-9-4-2-5-10-20)19-22-13-8-14-23(17-22)29-24(32)18-21-11-6-3-7-12-21;2*1-30-23(31)25(29-24(30)26,13-10-19-6-3-2-4-7-19)17-21-8-5-9-22(16-21)28-18-20-11-14-27-15-12-20;1-17(15(22)21(2)16(19)20-17)13-7-3-5-11(9-13)12-6-4-8-14(18)10-12/h15-18,25-26,29H,2-14,19-24H2,1H3,(H2,34,36)(H,35,40);3,6-7,11-12,20,22-23H,2,4-5,8-10,13-19H2,1H3,(H2,28,30)(H,29,32);2*11-12,14-15,19,21-22,28H,2-10,13,16-18H2,1H3,(H2,26,29);3-10H,1-2H3,(H2,19,20)/t29-,33+;22-,23+,27+;21-,22+,25+;21-,22-,25+;/m0000./s1
InChIKeyACLZNIDLNGNZBN-AVONCZBJSA-N
MW2167.48 g/mol
LogP21.70
Rot. Bonds38

About (5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one

(5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one (PubChem CID 157071394) has the molecular formula C127H185ClN22O7 and a molecular weight of 2167.48 g/mol. Its IUPAC name is (5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one
PubChem CID157071394
Molecular FormulaC127H185ClN22O7
Molecular Weight2167.48 g/mol
Exact Mass2165.45
IUPAC Name(5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one
SMILESCCCC[C@H]1CN(Cc2ccc(CN3C(=O)[C@@](CCC4CCCCC4)(CC4CCCCC4)N=C3N)cc2)C(=O)N1.CN1C(=O)C(C)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)Cc3ccccc3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCc3ccncc3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@H](NCc3ccncc3)C2)N=C1N
InChIInChI=1S/C33H51N5O2.C27H40N4O2.2C25H39N5O.C17H16ClN3O/c1-2-3-14-29-24-37(32(40)35-29)22-27-15-17-28(18-16-27)23-38-30(39)33(36-31(38)34,21-26-12-8-5-9-13-26)20-19-25-10-6-4-7-11-25;1-31-25(33)27(30-26(31)28,16-15-20-9-4-2-5-10-20)19-22-13-8-14-23(17-22)29-24(32)18-21-11-6-3-7-12-21;2*1-30-23(31)25(29-24(30)26,13-10-19-6-3-2-4-7-19)17-21-8-5-9-22(16-21)28-18-20-11-14-27-15-12-20;1-17(15(22)21(2)16(19)20-17)13-7-3-5-11(9-13)12-6-4-8-14(18)10-12/h15-18,25-26,29H,2-14,19-24H2,1H3,(H2,34,36)(H,35,40);3,6-7,11-12,20,22-23H,2,4-5,8-10,13-19H2,1H3,(H2,28,30)(H,29,32);2*11-12,14-15,19,21-22,28H,2-10,13,16-18H2,1H3,(H2,26,29);3-10H,1-2H3,(H2,19,20)/t29-,33+;22-,23+,27+;21-,22+,25+;21-,22-,25+;/m0000./s1
InChIKeyACLZNIDLNGNZBN-AVONCZBJSA-N
XLogP21.70
TPSA404.73 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds38
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002167.48
LogP ≤ 521.70
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze (5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one with MolForge

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Related Compounds

2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one;5-(3,5-dichlorophenyl)-3-methyl-2-(3-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 158504811
N'-[4-[5-[4-[6-[[C-butan-2-yl-N-[2-(dimethylamino)ethyl]carbonimidoyl]amino]-5-ethenyl-1-ethyl-2-oxo-3-pyridinyl]-3-chlorophenyl]-3-pyridinyl]butyl]-N-[5-(2-chloro-4-pyridin-3-ylphenyl)-3-ethenyl-1-ethyl-6-oxo-2-pyridinyl]-2-methylbutanimidamide
CID 123753639
(2R)-2-amino-N-[[(2S)-1-[(2S)-4-[4-[3-[2-[[(2R)-2-amino-3-(3,4-dichlorophenyl)propanoyl]-[[(2S)-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-4-phenylbutanoyl]pyrrolidin-2-yl]methyl]amino]ethyl]phenyl]phenyl]-2-[[(2S)-2-(methylamino)propanoyl]amino]butyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)-3-pyridin-4-ylpropanamide
CID 143330206
(2R)-2-amino-N-[[(2S)-1-[(2S)-4-[4-[3-[2-[[(2R)-2-amino-3-(3,4-dichlorophenyl)propanoyl]-[[(2S)-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-4-phenylbutanoyl]pyrrolidin-2-yl]methyl]amino]ethyl]phenyl]phenyl]-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)-3-pyridin-4-ylpropanamide
CID 143330245
(5Z,6E)-6-[1-(butylamino)ethenylimino]-3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-5-ethylidenepyridin-2-one;(5Z,6E)-3-(2-chloro-4-pyridin-3-ylphenyl)-6-[1-[2-(dimethylamino)ethylamino]ethenylimino]-1-ethyl-5-ethylidenepyridin-2-one
CID 145573809
(5Z,6E)-6-[1-(benzylamino)ethenylimino]-3-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-5-ethylidenepyridin-2-one;N-[1-[(E)-[(3Z)-5-(2-chloro-4-pyridin-3-ylphenyl)-1-ethyl-3-ethylidene-6-oxo-2-pyridinylidene]amino]ethenyl]acetamide
CID 145574098
2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;3-[[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]amino]-N-phenylpropanamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S)-3-(pyridin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one
CID 157135492
(5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(methylamino)cyclohexyl]methyl]imidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one
CID 157338702
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-cyanophenyl)urea
CID 157610220
2-amino-3-[7-(2-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-3-[[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;2-amino-3-[(2,6-dichlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-[3-(2-pyridin-3-ylethyl)phenyl]imidazol-4-one
CID 157671369
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile
CID 158140446
2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 158173131

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one?
The IUPAC name of (5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one (CID 157071394) is (5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one?
The canonical SMILES for (5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one is CCCC[C@H]1CN(Cc2ccc(CN3C(=O)[C@@](CCC4CCCCC4)(CC4CCCCC4)N=C3N)cc2)C(=O)N1.CN1C(=O)C(C)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)Cc3ccccc3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCc3ccncc3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@H](NCc3ccncc3)C2)N=C1N.
What is the InChIKey of (5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one?
The InChIKey is ACLZNIDLNGNZBN-AVONCZBJSA-N. The full InChI is InChI=1S/C33H51N5O2.C27H40N4O2.2C25H39N5O.C17H16ClN3O/c1-2-3-14-29-24-37(32(40)35-29)22-27-15-17-28(18-16-27)23-38-30(39)33(36-31(38)34,21-26-12-8-5-9-13-26)20-19-25-10-6-4-7-11-25;1-31-25(33)27(30-26(31)28,16-15-20-9-4-2-5-10-20)19-22-13-8-14-23(17-22)29-24(32)18-21-11-6-3-7-12-21;2*1-30-23(31)25(29-24(30)26,13-10-19-6-3-2-4-7-19)17-21-8-5-9-22(16-21)28-18-20-11-14-27-15-12-20;1-17(15(22)21(2)16(19)20-17)13-7-3-5-11(9-13)12-6-4-8-14(18)10-12/h15-18,25-26,29H,2-14,19-24H2,1H3,(H2,34,36)(H,35,40);3,6-7,11-12,20,22-23H,2,4-5,8-10,13-19H2,1H3,(H2,28,30)(H,29,32);2*11-12,14-15,19,21-22,28H,2-10,13,16-18H2,1H3,(H2,26,29);3-10H,1-2H3,(H2,19,20)/t29-,33+;22-,23+,27+;21-,22+,25+;21-,22-,25+;/m0000./s1.
What are the key properties of (5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one?
(5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one has a molecular weight of 2167.48 g/mol, XLogP of 21.70, 38 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one is sourced from PubChem (CID 157071394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).