(2S,4R)-4-benzyl-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxo-3-[[(2S)-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide

C132H151Cl2N21O25 — CID 158511137

About (2S,4R)-4-benzyl-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxo-3-[[(2S)-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide

(2S,4R)-4-benzyl-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxo-3-[[(2S)-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 158511137) has the molecular formula C132H151Cl2N21O25 and a molecular weight of 2502.69 g/mol. Its IUPAC name is (2S,4R)-4-benzyl-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxo-3-[[(2S)-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-4-benzyl-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxo-3-[[(2S)-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide
• PubChem CID: 158511137
• Molecular Formula: C132H151Cl2N21O25
• Molecular Weight: 2502.69 g/mol
• Exact Mass: 2500.06
• IUPAC Name: (2S,4R)-4-benzyl-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxo-3-[[(2S)-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide
• SMILES: CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)c1ncc(CCCc2ccc(O)cc2)[nH]1.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)c1ncc(CCCc2ccccc2)[nH]1.COc1ccc(CCCc2cnc(C(=O)N3CCC[C@H]3C(=O)N[C@H](C=O)CC(C)=O)[nH]2)cc1.COc1ccc(CCCc2cnc(C(=O)N3C[C@H](Cc4ccccc4)C[C@H]3C(=O)N[C@H](C=O)CC(C)=O)[nH]2)cc1.O=C(O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ncc(CCCc2ccccc2)[nH]1)C(=O)c1ncc(-c2c(Cl)cccc2Cl)o1
• InChI: InChI=1S/C31H29Cl2N5O6.C31H36N4O5.C24H30N4O5.C23H28N4O5.C23H28N4O4/c32-20-11-5-12-21(33)26(20)24-17-35-30(44-24)27(41)22(15-25(39)40)37-29(42)23-13-6-14-38(23)31(43)28-34-16-19(36-28)10-4-9-18-7-2-1-3-8-18;1-21(37)15-26(20-36)34-30(38)28-17-24(16-23-7-4-3-5-8-23)19-35(28)31(39)29-32-18-25(33-29)10-6-9-22-11-13-27(40-2)14-12-22;1-16(30)13-19(15-29)27-23(31)21-7-4-12-28(21)24(32)22-25-14-18(26-22)6-3-5-17-8-10-20(33-2)11-9-17;1-15(29)12-18(14-28)26-22(31)20-6-3-11-27(20)23(32)21-24-13-17(25-21)5-2-4-16-7-9-19(30)10-8-16;1-16(29)13-19(15-28)26-22(30)20-11-6-12-27(20)23(31)21-24-14-18(25-21)10-5-9-17-7-3-2-4-8-17/h1-3,5,7-8,11-12,16-17,22-23H,4,6,9-10,13-15H2,(H,34,36)(H,37,42)(H,39,40);3-5,7-8,11-14,18,20,24,26,28H,6,9-10,15-17,19H2,1-2H3,(H,32,33)(H,34,38);8-11,14-15,19,21H,3-7,12-13H2,1-2H3,(H,25,26)(H,27,31);7-10,13-14,18,20,30H,2-6,11-12H2,1H3,(H,24,25)(H,26,31);2-4,7-8,14-15,19-20H,5-6,9-13H2,1H3,(H,24,25)(H,26,30)/t22-,23-;24-,26+,28+;19-,21-;18-,20-;19-,20-/m01000/s1
• InChIKey: HLBKCHIZKHXPNS-DESMVDGASA-N
• XLogP: 13.60
• TPSA: 646.10 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 56
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2502.69
LogP ≤ 5	13.60
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-benzyl-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxo-3-[[(2S)-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S,4R)-4-benzyl-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxo-3-[[(2S)-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide (CID 158511137) is (2S,4R)-4-benzyl-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxo-3-[[(2S)-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S,4R)-4-benzyl-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxo-3-[[(2S)-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S,4R)-4-benzyl-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxo-3-[[(2S)-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide is CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)c1ncc(CCCc2ccc(O)cc2)[nH]1.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)c1ncc(CCCc2ccccc2)[nH]1.COc1ccc(CCCc2cnc(C(=O)N3CCC[C@H]3C(=O)N[C@H](C=O)CC(C)=O)[nH]2)cc1.COc1ccc(CCCc2cnc(C(=O)N3C[C@H](Cc4ccccc4)C[C@H]3C(=O)N[C@H](C=O)CC(C)=O)[nH]2)cc1.O=C(O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ncc(CCCc2ccccc2)[nH]1)C(=O)c1ncc(-c2c(Cl)cccc2Cl)o1.

What is the InChIKey of (2S,4R)-4-benzyl-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxo-3-[[(2S)-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide?

The InChIKey is HLBKCHIZKHXPNS-DESMVDGASA-N. The full InChI is InChI=1S/C31H29Cl2N5O6.C31H36N4O5.C24H30N4O5.C23H28N4O5.C23H28N4O4/c32-20-11-5-12-21(33)26(20)24-17-35-30(44-24)27(41)22(15-25(39)40)37-29(42)23-13-6-14-38(23)31(43)28-34-16-19(36-28)10-4-9-18-7-2-1-3-8-18;1-21(37)15-26(20-36)34-30(38)28-17-24(16-23-7-4-3-5-8-23)19-35(28)31(39)29-32-18-25(33-29)10-6-9-22-11-13-27(40-2)14-12-22;1-16(30)13-19(15-29)27-23(31)21-7-4-12-28(21)24(32)22-25-14-18(26-22)6-3-5-17-8-10-20(33-2)11-9-17;1-15(29)12-18(14-28)26-22(31)20-6-3-11-27(20)23(32)21-24-13-17(25-21)5-2-4-16-7-9-19(30)10-8-16;1-16(29)13-19(15-28)26-22(30)20-11-6-12-27(20)23(31)21-24-14-18(25-21)10-5-9-17-7-3-2-4-8-17/h1-3,5,7-8,11-12,16-17,22-23H,4,6,9-10,13-15H2,(H,34,36)(H,37,42)(H,39,40);3-5,7-8,11-14,18,20,24,26,28H,6,9-10,15-17,19H2,1-2H3,(H,32,33)(H,34,38);8-11,14-15,19,21H,3-7,12-13H2,1-2H3,(H,25,26)(H,27,31);7-10,13-14,18,20,30H,2-6,11-12H2,1H3,(H,24,25)(H,26,31);2-4,7-8,14-15,19-20H,5-6,9-13H2,1H3,(H,24,25)(H,26,30)/t22-,23-;24-,26+,28+;19-,21-;18-,20-;19-,20-/m01000/s1.

What are the key properties of (2S,4R)-4-benzyl-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxo-3-[[(2S)-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide?

(2S,4R)-4-benzyl-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxo-3-[[(2S)-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 2502.69 g/mol, XLogP of 13.60, 56 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-4-benzyl-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxo-3-[[(2S)-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-[3-(4-methoxyphenyl)propyl]-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide;(2S)-N-[(2S)-1,4-dioxopentan-2-yl]-1-[5-(3-phenylpropyl)-1H-imidazole-2-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 158511137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).