2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide

C142H142Cl5N23O8 — CID 159196376

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide
SMILESCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](NC(=O)c3cccc(Cl)c3)C2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1ccccn1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1ccncc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C29H30N4O2.C26H31ClN4O2.2C25H23ClN4O.C19H18ClN3O.C18H17ClN4O/c30-28-31-29(24-12-6-2-7-13-24,25-14-8-3-9-15-25)27(35)33(28)21-23-16-18-32(19-17-23)26(34)20-22-10-4-1-5-11-22;1-31-24(33)26(30-25(31)28,14-13-18-7-3-2-4-8-18)17-19-9-5-12-22(15-19)29-23(32)20-10-6-11-21(27)16-20;26-22-6-2-4-19(16-22)18-3-1-5-21(15-18)25(20-7-8-20)23(31)30(24(27)29-25)14-11-17-9-12-28-13-10-17;26-21-8-4-6-18(16-21)17-5-3-7-20(15-17)25(19-10-11-19)23(31)30(24(27)29-25)14-12-22-9-1-2-13-28-22;1-23-17(24)19(14-8-9-14,22-18(23)21)15-6-2-4-12(10-15)13-5-3-7-16(20)11-13;1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h1-15,23H,16-21H2,(H2,30,31);2-4,6-8,10-11,16,19,22H,5,9,12-15,17H2,1H3,(H2,28,30)(H,29,32);1-6,9-10,12-13,15-16,20H,7-8,11,14H2,(H2,27,29);1-9,13,15-16,19H,10-12,14H2,(H2,27,29);2-7,10-11,14H,8-9H2,1H3,(H2,21,22);2-4,7-10,13H,5-6H2,1H3,(H2,20,22)/t;19-,22+,26+;;;;/m.0..../s1
InChIKeyKOSFTMZEYCOQCC-AUSMNSEUSA-N
MW2476.12 g/mol
LogP22.75
Rot. Bonds31

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide (PubChem CID 159196376) has the molecular formula C142H142Cl5N23O8 and a molecular weight of 2476.12 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide
PubChem CID159196376
Molecular FormulaC142H142Cl5N23O8
Molecular Weight2476.12 g/mol
Exact Mass2471.99
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide
SMILESCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](NC(=O)c3cccc(Cl)c3)C2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1ccccn1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1ccncc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C29H30N4O2.C26H31ClN4O2.2C25H23ClN4O.C19H18ClN3O.C18H17ClN4O/c30-28-31-29(24-12-6-2-7-13-24,25-14-8-3-9-15-25)27(35)33(28)21-23-16-18-32(19-17-23)26(34)20-22-10-4-1-5-11-22;1-31-24(33)26(30-25(31)28,14-13-18-7-3-2-4-8-18)17-19-9-5-12-22(15-19)29-23(32)20-10-6-11-21(27)16-20;26-22-6-2-4-19(16-22)18-3-1-5-21(15-18)25(20-7-8-20)23(31)30(24(27)29-25)14-11-17-9-12-28-13-10-17;26-21-8-4-6-18(16-21)17-5-3-7-20(15-17)25(19-10-11-19)23(31)30(24(27)29-25)14-12-22-9-1-2-13-28-22;1-23-17(24)19(14-8-9-14,22-18(23)21)15-6-2-4-12(10-15)13-5-3-7-16(20)11-13;1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h1-15,23H,16-21H2,(H2,30,31);2-4,6-8,10-11,16,19,22H,5,9,12-15,17H2,1H3,(H2,28,30)(H,29,32);1-6,9-10,12-13,15-16,20H,7-8,11,14H2,(H2,27,29);1-9,13,15-16,19H,10-12,14H2,(H2,27,29);2-7,10-11,14H,8-9H2,1H3,(H2,21,22);2-4,7-10,13H,5-6H2,1H3,(H2,20,22)/t;19-,22+,26+;;;;/m.0..../s1
InChIKeyKOSFTMZEYCOQCC-AUSMNSEUSA-N
XLogP22.75
TPSA440.22 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds31
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002476.12
LogP ≤ 522.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide with MolForge

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Related Compounds

CID 157399687
CID 157399687
CID 158395466
CID 158395466
(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
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
N-[2-(3-chlorophenyl)ethyl]-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(4-phenylbutan-2-yl)-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 157575569
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;6-[[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]amino]pyridine-3-carbonitrile;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrazine-2-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-3-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide
CID 157679439
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
(5R)-3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropylimidazol-4-one;3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-2-amino-5,5-diphenylimidazol-4-one;(5R)-2-amino-5-[3-(4-bromo-2-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3H-pyrrol-4-one;2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one
CID 158306870
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-3-butyl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide
CID 158534855
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-oxidopyridin-1-ium-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 158687190
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-difluorophenyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-hydroxypropyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazol-4-one
CID 158708816

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide (CID 159196376) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide is CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](NC(=O)c3cccc(Cl)c3)C2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1ccccn1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1ccncc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide?
The InChIKey is KOSFTMZEYCOQCC-AUSMNSEUSA-N. The full InChI is InChI=1S/C29H30N4O2.C26H31ClN4O2.2C25H23ClN4O.C19H18ClN3O.C18H17ClN4O/c30-28-31-29(24-12-6-2-7-13-24,25-14-8-3-9-15-25)27(35)33(28)21-23-16-18-32(19-17-23)26(34)20-22-10-4-1-5-11-22;1-31-24(33)26(30-25(31)28,14-13-18-7-3-2-4-8-18)17-19-9-5-12-22(15-19)29-23(32)20-10-6-11-21(27)16-20;26-22-6-2-4-19(16-22)18-3-1-5-21(15-18)25(20-7-8-20)23(31)30(24(27)29-25)14-11-17-9-12-28-13-10-17;26-21-8-4-6-18(16-21)17-5-3-7-20(15-17)25(19-10-11-19)23(31)30(24(27)29-25)14-12-22-9-1-2-13-28-22;1-23-17(24)19(14-8-9-14,22-18(23)21)15-6-2-4-12(10-15)13-5-3-7-16(20)11-13;1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h1-15,23H,16-21H2,(H2,30,31);2-4,6-8,10-11,16,19,22H,5,9,12-15,17H2,1H3,(H2,28,30)(H,29,32);1-6,9-10,12-13,15-16,20H,7-8,11,14H2,(H2,27,29);1-9,13,15-16,19H,10-12,14H2,(H2,27,29);2-7,10-11,14H,8-9H2,1H3,(H2,21,22);2-4,7-10,13H,5-6H2,1H3,(H2,20,22)/t;19-,22+,26+;;;;/m.0..../s1.
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide has a molecular weight of 2476.12 g/mol, XLogP of 22.75, 31 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide is sourced from PubChem (CID 159196376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).