2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one

C67H76ClFN12O4S — CID 159478898

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(F)nc3)C2)N=C1N.Cc1cncc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1Cc1cccs1
InChIInChI=1S/C25H36FN5O2.C23H20ClN3OS.C19H20N4O/c1-31-23(33)25(30-24(31)27,13-12-17-6-3-2-4-7-17)15-18-8-5-9-20(14-18)29-22(32)19-10-11-21(26)28-16-19;24-19-7-2-5-16(13-19)15-4-1-6-18(12-15)23(17-9-10-17)21(28)27(22(25)26-23)14-20-8-3-11-29-20;1-12-8-14(11-21-10-12)13-4-3-5-16(9-13)19(15-6-7-15)17(24)23(2)18(20)22-19/h10-11,16-18,20H,2-9,12-15H2,1H3,(H2,27,30)(H,29,32);1-8,11-13,17H,9-10,14H2,(H2,25,26);3-5,8-11,15H,6-7H2,1-2H3,(H2,20,22)/t18-,20+,25+;;/m0../s1
InChIKeyLWSZEVTXSAFLLD-DVFWFSLZSA-N
MW1199.94 g/mol
LogP11.27
Rot. Bonds15

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one (PubChem CID 159478898) has the molecular formula C67H76ClFN12O4S and a molecular weight of 1199.94 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one
PubChem CID159478898
Molecular FormulaC67H76ClFN12O4S
Molecular Weight1199.94 g/mol
Exact Mass1198.55
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(F)nc3)C2)N=C1N.Cc1cncc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1Cc1cccs1
InChIInChI=1S/C25H36FN5O2.C23H20ClN3OS.C19H20N4O/c1-31-23(33)25(30-24(31)27,13-12-17-6-3-2-4-7-17)15-18-8-5-9-20(14-18)29-22(32)19-10-11-21(26)28-16-19;24-19-7-2-5-16(13-19)15-4-1-6-18(12-15)23(17-9-10-17)21(28)27(22(25)26-23)14-20-8-3-11-29-20;1-12-8-14(11-21-10-12)13-4-3-5-16(9-13)19(15-6-7-15)17(24)23(2)18(20)22-19/h10-11,16-18,20H,2-9,12-15H2,1H3,(H2,27,30)(H,29,32);1-8,11-13,17H,9-10,14H2,(H2,25,26);3-5,8-11,15H,6-7H2,1-2H3,(H2,20,22)/t18-,20+,25+;;/m0../s1
InChIKeyLWSZEVTXSAFLLD-DVFWFSLZSA-N
XLogP11.27
TPSA230.95 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001199.94
LogP ≤ 511.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one with MolForge

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Related Compounds

3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;3-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(4-thiophen-2-yl-2-pyridinyl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(4-fluorophenyl)urea
CID 160993813
3-[5-[(4S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;(5S,6S)-2-amino-6-(2,4-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-methyl-4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1-ethyl-4-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[(4-methylphenyl)methyl]-5,5-diphenylimidazol-4-one
CID 161805389
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-3-ylmethyl)imidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-cyclohexylurea;2-amino-5-cyclopropyl-5-[3-(5-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 157316905
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)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-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-(3-pyrazin-2-ylphenyl)imidazol-4-one
CID 157525142
(6S)-2-amino-6-[4-(3,4-difluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[1-[1-(propan-2-ylamino)ethenyl]piperidin-4-yl]methyl]imidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;hydrate
CID 157873971
2-amino-3-(7-amino-6-oxoheptyl)-5,5-diphenylimidazol-4-one;2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one;3-[5-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile;2-amino-3,5-dimethyl-5-quinolin-6-ylimidazol-4-one;2-amino-3-[[3-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(2-phenylethyl)benzamide
CID 158080269
2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[(3S)-1-benzoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[4-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-cyclopentylpropanamide
CID 158088980
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dichlorophenyl)phenyl]-5-methylimidazol-4-one;(6S)-2-amino-6-(1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-phenylmethanesulfonamide;2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazolidin-4-one
CID 158209963
(5S,6S)-2-amino-5-butyl-6-(3-iodophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-butyl-6-(3-iodophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-phenylethyl)imidazol-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]ethyl]benzamide
CID 158479147
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
(6S)-2-amino-6-(1-benzothiophen-5-yl)-3-[2-(dimethylamino)ethyl]-6-methyl-5H-pyrimidin-4-one;2-amino-6-[5-(3-chlorophenyl)thiophen-2-yl]-6-cyclopropyl-3-methyl-5H-pyrimidin-4-one;4-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(2-fluoro-3-pyridinyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5,5-diphenylimidazol-4-one
CID 158780629

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one (CID 159478898) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one is CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(F)nc3)C2)N=C1N.Cc1cncc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1Cc1cccs1.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one?
The InChIKey is LWSZEVTXSAFLLD-DVFWFSLZSA-N. The full InChI is InChI=1S/C25H36FN5O2.C23H20ClN3OS.C19H20N4O/c1-31-23(33)25(30-24(31)27,13-12-17-6-3-2-4-7-17)15-18-8-5-9-20(14-18)29-22(32)19-10-11-21(26)28-16-19;24-19-7-2-5-16(13-19)15-4-1-6-18(12-15)23(17-9-10-17)21(28)27(22(25)26-23)14-20-8-3-11-29-20;1-12-8-14(11-21-10-12)13-4-3-5-16(9-13)19(15-6-7-15)17(24)23(2)18(20)22-19/h10-11,16-18,20H,2-9,12-15H2,1H3,(H2,27,30)(H,29,32);1-8,11-13,17H,9-10,14H2,(H2,25,26);3-5,8-11,15H,6-7H2,1-2H3,(H2,20,22)/t18-,20+,25+;;/m0../s1.
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one has a molecular weight of 1199.94 g/mol, XLogP of 11.27, 15 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(thiophen-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one is sourced from PubChem (CID 159478898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).