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

C109H127ClN18O10 — CID 161296509

About 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

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 (PubChem CID 161296509) has the molecular formula C109H127ClN18O10 and a molecular weight of 1884.78 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161296509
• Molecular Formula: C109H127ClN18O10
• Molecular Weight: 1884.78 g/mol
• Exact Mass: 1882.97
• IUPAC Name: 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
• SMILES: CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3cc[n+]([O-])cc3)C2)N=C1N.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](Nc3ccc4ccccc4n3)C2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCOCCO.NC1=NC(c2ccccc2)(c2cccc(-c3cccnc3)c2)C(=O)N1CC1CCN(C(=O)COc2ccccc2)CC1
• InChI: InChI=1S/C34H33N5O3.C28H33N5O.C25H37N5O3.C22H24ClN3O3/c35-33-37-34(28-11-3-1-4-12-28,29-13-7-9-26(21-29)27-10-8-18-36-22-27)32(41)39(33)23-25-16-19-38(20-17-25)31(40)24-42-30-14-5-2-6-15-30;1-33-26(34)28(32-27(33)29,17-16-20-8-3-2-4-9-20)19-21-10-7-12-23(18-21)30-25-15-14-22-11-5-6-13-24(22)31-25;1-29-23(32)25(28-24(29)26,13-10-18-6-3-2-4-7-18)17-19-8-5-9-21(16-19)27-22(31)20-11-14-30(33)15-12-20;23-19-6-2-4-16(14-19)15-3-1-5-18(13-15)22(17-7-8-17)20(28)26(21(24)25-22)9-11-29-12-10-27/h1-15,18,21-22,25H,16-17,19-20,23-24H2,(H2,35,37);2-6,8-9,11,13-15,21,23H,7,10,12,16-19H2,1H3,(H2,29,32)(H,30,31);11-12,14-15,18-19,21H,2-10,13,16-17H2,1H3,(H2,26,28)(H,27,31);1-6,13-14,17,27H,7-12H2,(H2,24,25)/t;21-,23+,28+;19-,21+,25+;/m.00./s1
• InChIKey: VHAUNDGNRDZQKV-YDZHBXEZSA-N
• XLogP: 14.88
• TPSA: 387.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1884.78
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3cc[n+]([O-])cc3)C2)N=C1N.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](Nc3ccc4ccccc4n3)C2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCOCCO.NC1=NC(c2ccccc2)(c2cccc(-c3cccnc3)c2)C(=O)N1CC1CCN(C(=O)COc2ccccc2)CC1.

What is the InChIKey of 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?

The InChIKey is VHAUNDGNRDZQKV-YDZHBXEZSA-N. The full InChI is InChI=1S/C34H33N5O3.C28H33N5O.C25H37N5O3.C22H24ClN3O3/c35-33-37-34(28-11-3-1-4-12-28,29-13-7-9-26(21-29)27-10-8-18-36-22-27)32(41)39(33)23-25-16-19-38(20-17-25)31(40)24-42-30-14-5-2-6-15-30;1-33-26(34)28(32-27(33)29,17-16-20-8-3-2-4-9-20)19-21-10-7-12-23(18-21)30-25-15-14-22-11-5-6-13-24(22)31-25;1-29-23(32)25(28-24(29)26,13-10-18-6-3-2-4-7-18)17-19-8-5-9-21(16-19)27-22(31)20-11-14-30(33)15-12-20;23-19-6-2-4-16(14-19)15-3-1-5-18(13-15)22(17-7-8-17)20(28)26(21(24)25-22)9-11-29-12-10-27/h1-15,18,21-22,25H,16-17,19-20,23-24H2,(H2,35,37);2-6,8-9,11,13-15,21,23H,7,10,12,16-19H2,1H3,(H2,29,32)(H,30,31);11-12,14-15,18-19,21H,2-10,13,16-17H2,1H3,(H2,26,28)(H,27,31);1-6,13-14,17,27H,7-12H2,(H2,24,25)/t;21-,23+,28+;19-,21+,25+;/m.00./s1.

What are the key properties of 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?

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 has a molecular weight of 1884.78 g/mol, XLogP of 14.88, 30 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161296509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).