(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one

C143H191F2N25O10 — CID 159762181

IUPAC(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCCC(Nc3ccccn3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCc3cccnc3)C2)N=C1N.COc1cccc(-c2cc(C3(c4ccccc4)N=C(N)N(C)C3=O)ccc2F)c1.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCCN1CCCC1=O.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C25H39N5O.C25H36N4O3.C25H42N4O2.C24H37N5O.C23H20FN3O2.C21H17FN4O/c1-30-23(31)25(29-24(30)26,13-12-19-7-3-2-4-8-19)16-20-9-5-11-22(15-20)28-18-21-10-6-14-27-17-21;26-24-27-25(17-20-9-5-2-6-10-20,16-15-19-7-3-1-4-8-19)23(30)28(24)18-21-11-13-22(14-12-21)29(31)32;26-24-27-25(19-21-11-5-2-6-12-21,15-14-20-9-3-1-4-10-20)23(31)29(24)18-8-17-28-16-7-13-22(28)30;1-29-22(30)24(28-23(29)25,14-13-18-8-3-2-4-9-18)17-19-10-7-11-20(16-19)27-21-12-5-6-15-26-21;1-27-21(28)23(26-22(27)25,16-8-4-3-5-9-16)17-11-12-20(24)19(14-17)15-7-6-10-18(13-15)29-2;1-26-19(27)21(25-20(26)23,15-7-3-2-4-8-15)16-9-10-18(22)17(12-16)14-6-5-11-24-13-14/h6,10,14,17,19-20,22,28H,2-5,7-9,11-13,15-16,18H2,1H3,(H2,26,29);11-14,19-20H,1-10,15-18H2,(H2,26,27);20-21H,1-19H2,(H2,26,27);5-6,12,15,18-20H,2-4,7-11,13-14,16-17H2,1H3,(H2,25,28)(H,26,27);3-14H,1-2H3,(H2,25,26);2-13H,1H3,(H2,23,25)/t20-,22+,25+;2*25-;19-,20?,24+;;/m0110../s1
InChIKeyNFAOECQBNXXQEO-OQZZQVMUSA-N
MW2458.26 g/mol
LogP24.33
Rot. Bonds39

About (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one

(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one (PubChem CID 159762181) has the molecular formula C143H191F2N25O10 and a molecular weight of 2458.26 g/mol. Its IUPAC name is (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one
PubChem CID159762181
Molecular FormulaC143H191F2N25O10
Molecular Weight2458.26 g/mol
Exact Mass2456.52
IUPAC Name(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCCC(Nc3ccccn3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCc3cccnc3)C2)N=C1N.COc1cccc(-c2cc(C3(c4ccccc4)N=C(N)N(C)C3=O)ccc2F)c1.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCCN1CCCC1=O.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C25H39N5O.C25H36N4O3.C25H42N4O2.C24H37N5O.C23H20FN3O2.C21H17FN4O/c1-30-23(31)25(29-24(30)26,13-12-19-7-3-2-4-8-19)16-20-9-5-11-22(15-20)28-18-21-10-6-14-27-17-21;26-24-27-25(17-20-9-5-2-6-10-20,16-15-19-7-3-1-4-8-19)23(30)28(24)18-21-11-13-22(14-12-21)29(31)32;26-24-27-25(19-21-11-5-2-6-12-21,15-14-20-9-3-1-4-10-20)23(31)29(24)18-8-17-28-16-7-13-22(28)30;1-29-22(30)24(28-23(29)25,14-13-18-8-3-2-4-9-18)17-19-10-7-11-20(16-19)27-21-12-5-6-15-26-21;1-27-21(28)23(26-22(27)25,16-8-4-3-5-9-16)17-11-12-20(24)19(14-17)15-7-6-10-18(13-15)29-2;1-26-19(27)21(25-20(26)23,15-7-3-2-4-8-15)16-9-10-18(22)17(12-16)14-6-5-11-24-13-14/h6,10,14,17,19-20,22,28H,2-5,7-9,11-13,15-16,18H2,1H3,(H2,26,29);11-14,19-20H,1-10,15-18H2,(H2,26,27);20-21H,1-19H2,(H2,26,27);5-6,12,15,18-20H,2-4,7-11,13-14,16-17H2,1H3,(H2,25,28)(H,26,27);3-14H,1-2H3,(H2,25,26);2-13H,1H3,(H2,23,25)/t20-,22+,25+;2*25-;19-,20?,24+;;/m0110../s1
InChIKeyNFAOECQBNXXQEO-OQZZQVMUSA-N
XLogP24.33
TPSA487.55 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds39
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002458.26
LogP ≤ 524.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one with MolForge

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

Launch Full Analysis

Related Compounds

(5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 158253511
(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-6-[4-(3-ethoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]-5-phenylimidazol-4-one
CID 159806110
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-3-carboxamide;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;(4S)-2'-amino-6-(3-methoxyphenyl)-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one
CID 159014296
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[2-(2-hydroxyethoxy)ethyl]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-4-carboxamide;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 161296509
(5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one
CID 158816037
1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea
CID 59262469
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one
CID 11177778
(5R)-2-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]anilino]-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one
CID 121300202
3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-naphthalen-2-ylurea;2-amino-5-(2-fluoro-5-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one
CID 158237248
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one
CID 59386834
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one;N-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide
CID 158358382
(3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide
CID 158672823

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one (CID 159762181) is (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one is CN1C(=O)C(c2ccccc2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCCC(Nc3ccccn3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCc3cccnc3)C2)N=C1N.COc1cccc(-c2cc(C3(c4ccccc4)N=C(N)N(C)C3=O)ccc2F)c1.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCCN1CCCC1=O.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one?
The InChIKey is NFAOECQBNXXQEO-OQZZQVMUSA-N. The full InChI is InChI=1S/C25H39N5O.C25H36N4O3.C25H42N4O2.C24H37N5O.C23H20FN3O2.C21H17FN4O/c1-30-23(31)25(29-24(30)26,13-12-19-7-3-2-4-8-19)16-20-9-5-11-22(15-20)28-18-21-10-6-14-27-17-21;26-24-27-25(17-20-9-5-2-6-10-20,16-15-19-7-3-1-4-8-19)23(30)28(24)18-21-11-13-22(14-12-21)29(31)32;26-24-27-25(19-21-11-5-2-6-12-21,15-14-20-9-3-1-4-10-20)23(31)29(24)18-8-17-28-16-7-13-22(28)30;1-29-22(30)24(28-23(29)25,14-13-18-8-3-2-4-9-18)17-19-10-7-11-20(16-19)27-21-12-5-6-15-26-21;1-27-21(28)23(26-22(27)25,16-8-4-3-5-9-16)17-11-12-20(24)19(14-17)15-7-6-10-18(13-15)29-2;1-26-19(27)21(25-20(26)23,15-7-3-2-4-8-15)16-9-10-18(22)17(12-16)14-6-5-11-24-13-14/h6,10,14,17,19-20,22,28H,2-5,7-9,11-13,15-16,18H2,1H3,(H2,26,29);11-14,19-20H,1-10,15-18H2,(H2,26,27);20-21H,1-19H2,(H2,26,27);5-6,12,15,18-20H,2-4,7-11,13-14,16-17H2,1H3,(H2,25,28)(H,26,27);3-14H,1-2H3,(H2,25,26);2-13H,1H3,(H2,23,25)/t20-,22+,25+;2*25-;19-,20?,24+;;/m0110../s1.
What are the key properties of (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one?
(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one has a molecular weight of 2458.26 g/mol, XLogP of 24.33, 39 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;(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;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 159762181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).