1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen

C88H105ClF3N15O10S — CID 167670476

About 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen

1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 167670476) has the molecular formula C88H105ClF3N15O10S and a molecular weight of 1657.42 g/mol. Its IUPAC name is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen
• PubChem CID: 167670476
• Molecular Formula: C88H105ClF3N15O10S
• Molecular Weight: 1657.42 g/mol
• Exact Mass: 1655.75
• IUPAC Name: 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen
• SMILES: COc1ccc(CC2CC(C(=O)NCc3cccs3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3nc4ccccc4[nH]3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.O=C(NCc1cc2cnccc2[nH]1)C1CC(Cc2ccc(C(F)(F)F)cc2)CN1C(=O)C1NCCc2cc(Cl)ccc21.[H][H]
• InChI: InChI=1S/C31H29ClF3N5O2.C30H38N6O4.C27H36N4O4S.H2/c32-23-5-6-25-20(13-23)7-10-37-28(25)30(42)40-17-19(11-18-1-3-22(4-2-18)31(33,34)35)12-27(40)29(41)38-16-24-14-21-15-36-9-8-26(21)39-24;1-40-22-10-8-20(9-11-22)16-21-17-26(29(38)32-18-27-33-24-6-2-3-7-25(24)34-27)36(19-21)30(39)23(31)12-13-28(37)35-14-4-5-15-35;1-35-21-8-6-19(7-9-21)15-20-16-24(26(33)29-17-22-5-4-14-36-22)31(18-20)27(34)23(28)10-11-25(32)30-12-2-3-13-30;/h1-6,8-9,13-15,19,27-28,37,39H,7,10-12,16-17H2,(H,38,41);2-3,6-11,21,23,26H,4-5,12-19,31H2,1H3,(H,32,38)(H,33,34);4-9,14,20,23-24H,2-3,10-13,15-18,28H2,1H3,(H,29,33);1H
• InChIKey: UALQRAQFQQSOFZ-UHFFFAOYSA-N
• XLogP: 10.38
• TPSA: 328.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1657.42
LogP ≤ 5	10.38
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen?

The IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen (CID 167670476) is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen is COc1ccc(CC2CC(C(=O)NCc3cccs3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3nc4ccccc4[nH]3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.O=C(NCc1cc2cnccc2[nH]1)C1CC(Cc2ccc(C(F)(F)F)cc2)CN1C(=O)C1NCCc2cc(Cl)ccc21.[H][H].

What is the InChIKey of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen?

The InChIKey is UALQRAQFQQSOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClF3N5O2.C30H38N6O4.C27H36N4O4S.H2/c32-23-5-6-25-20(13-23)7-10-37-28(25)30(42)40-17-19(11-18-1-3-22(4-2-18)31(33,34)35)12-27(40)29(41)38-16-24-14-21-15-36-9-8-26(21)39-24;1-40-22-10-8-20(9-11-22)16-21-17-26(29(38)32-18-27-33-24-6-2-3-7-25(24)34-27)36(19-21)30(39)23(31)12-13-28(37)35-14-4-5-15-35;1-35-21-8-6-19(7-9-21)15-20-16-24(26(33)29-17-22-5-4-14-36-22)31(18-20)27(34)23(28)10-11-25(32)30-12-2-3-13-30;/h1-6,8-9,13-15,19,27-28,37,39H,7,10-12,16-17H2,(H,38,41);2-3,6-11,21,23,26H,4-5,12-19,31H2,1H3,(H,32,38)(H,33,34);4-9,14,20,23-24H,2-3,10-13,15-18,28H2,1H3,(H,29,33);1H.

What are the key properties of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen?

1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 1657.42 g/mol, XLogP of 10.38, 26 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 167670476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).