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

C105H131Cl2N17O9 — CID 158358382

IUPAC2-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
SMILESCC(=O)NCCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CCOCCCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(Oc4ccccc4)nc3)C2)N=C1N.COc1ccc2nc(N[C@@H]3CCC[C@H](C[C@@]4(CCC5CCCCC5)N=C(N)N(C)C4=O)C3)ccc2c1
InChIInChI=1S/C31H41N5O3.C29H41N5O2.C23H26ClN3O2.C22H23ClN4O2/c1-36-29(38)31(35-30(36)32,18-17-22-9-4-2-5-10-22)20-23-11-8-12-25(19-23)34-28(37)24-15-16-27(33-21-24)39-26-13-6-3-7-14-26;1-34-27(35)29(33-28(34)30,16-15-20-7-4-3-5-8-20)19-21-9-6-10-23(17-21)31-26-14-11-22-18-24(36-2)12-13-25(22)32-26;1-2-29-13-5-12-27-21(28)23(18-10-11-18,26-22(27)25)19-8-3-6-16(14-19)17-7-4-9-20(24)15-17;1-14(28)25-10-11-27-20(29)22(17-8-9-17,26-21(27)24)18-6-2-4-15(12-18)16-5-3-7-19(23)13-16/h3,6-7,13-16,21-23,25H,2,4-5,8-12,17-20H2,1H3,(H2,32,35)(H,34,37);11-14,18,20-21,23H,3-10,15-17,19H2,1-2H3,(H2,30,33)(H,31,32);3-4,6-9,14-15,18H,2,5,10-13H2,1H3,(H2,25,26);2-7,12-13,17H,8-11H2,1H3,(H2,24,26)(H,25,28)/t23-,25+,31+;21-,23+,29+;;/m00../s1
InChIKeyGTDWKVLIYSRGHX-BEULHYGGSA-N
MW1846.22 g/mol
LogP18.03
Rot. Bonds31

About 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

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 (PubChem CID 158358382) has the molecular formula C105H131Cl2N17O9 and a molecular weight of 1846.22 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158358382
Molecular FormulaC105H131Cl2N17O9
Molecular Weight1846.22 g/mol
Exact Mass1843.97
IUPAC Name2-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
SMILESCC(=O)NCCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CCOCCCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(Oc4ccccc4)nc3)C2)N=C1N.COc1ccc2nc(N[C@@H]3CCC[C@H](C[C@@]4(CCC5CCCCC5)N=C(N)N(C)C4=O)C3)ccc2c1
InChIInChI=1S/C31H41N5O3.C29H41N5O2.C23H26ClN3O2.C22H23ClN4O2/c1-36-29(38)31(35-30(36)32,18-17-22-9-4-2-5-10-22)20-23-11-8-12-25(19-23)34-28(37)24-15-16-27(33-21-24)39-26-13-6-3-7-14-26;1-34-27(35)29(33-28(34)30,16-15-20-7-4-3-5-8-20)19-21-9-6-10-23(17-21)31-26-14-11-22-18-24(36-2)12-13-25(22)32-26;1-2-29-13-5-12-27-21(28)23(18-10-11-18,26-22(27)25)19-8-3-6-16(14-19)17-7-4-9-20(24)15-17;1-14(28)25-10-11-27-20(29)22(17-8-9-17,26-21(27)24)18-6-2-4-15(12-18)16-5-3-7-19(23)13-16/h3,6-7,13-16,21-23,25H,2,4-5,8-12,17-20H2,1H3,(H2,32,35)(H,34,37);11-14,18,20-21,23H,3-10,15-17,19H2,1-2H3,(H2,30,33)(H,31,32);3-4,6-9,14-15,18H,2,5,10-13H2,1H3,(H2,25,26);2-7,12-13,17H,8-11H2,1H3,(H2,24,26)(H,25,28)/t23-,25+,31+;21-,23+,29+;;/m00../s1
InChIKeyGTDWKVLIYSRGHX-BEULHYGGSA-N
XLogP18.03
TPSA358.46 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001846.22
LogP ≤ 518.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide
CID 11496530
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)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;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one
CID 161120470
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-methoxyphenyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(1-hydroxypropan-2-yl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methoxyethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one
CID 162148457
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one
CID 59262347
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-chlorobenzamide
CID 59262388
N-[3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide
CID 143244170
1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea
CID 59262469
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide
CID 59262439
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
1-[(1S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea
CID 11775374
N-[(1S,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-iodo-6-methylpyridine-4-carboxamide
CID 89085463
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one
CID 59262567

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NCCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CCOCCCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(Oc4ccccc4)nc3)C2)N=C1N.COc1ccc2nc(N[C@@H]3CCC[C@H](C[C@@]4(CCC5CCCCC5)N=C(N)N(C)C4=O)C3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is GTDWKVLIYSRGHX-BEULHYGGSA-N. The full InChI is InChI=1S/C31H41N5O3.C29H41N5O2.C23H26ClN3O2.C22H23ClN4O2/c1-36-29(38)31(35-30(36)32,18-17-22-9-4-2-5-10-22)20-23-11-8-12-25(19-23)34-28(37)24-15-16-27(33-21-24)39-26-13-6-3-7-14-26;1-34-27(35)29(33-28(34)30,16-15-20-7-4-3-5-8-20)19-21-9-6-10-23(17-21)31-26-14-11-22-18-24(36-2)12-13-25(22)32-26;1-2-29-13-5-12-27-21(28)23(18-10-11-18,26-22(27)25)19-8-3-6-16(14-19)17-7-4-9-20(24)15-17;1-14(28)25-10-11-27-20(29)22(17-8-9-17,26-21(27)24)18-6-2-4-15(12-18)16-5-3-7-19(23)13-16/h3,6-7,13-16,21-23,25H,2,4-5,8-12,17-20H2,1H3,(H2,32,35)(H,34,37);11-14,18,20-21,23H,3-10,15-17,19H2,1-2H3,(H2,30,33)(H,31,32);3-4,6-9,14-15,18H,2,5,10-13H2,1H3,(H2,25,26);2-7,12-13,17H,8-11H2,1H3,(H2,24,26)(H,25,28)/t23-,25+,31+;21-,23+,29+;;/m00../s1.
What are the key properties of 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?
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 has a molecular weight of 1846.22 g/mol, XLogP of 18.03, 31 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158358382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).