methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone

C93H111N15O10 — CID 159945040

About methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone

methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone (PubChem CID 159945040) has the molecular formula C93H111N15O10 and a molecular weight of 1599.01 g/mol. Its IUPAC name is methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

• Compound Name: methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
• PubChem CID: 159945040
• Molecular Formula: C93H111N15O10
• Molecular Weight: 1599.01 g/mol
• Exact Mass: 1597.86
• IUPAC Name: methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
• SMILES: COC(=O)NC(C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C)c3ccccc23)[nH]1)C(C)C.COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C)c3ccccc23)[nH]1)C(C)C.COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C)cc2)[nH]1)C(C)C.Cc1ccc(-c2cnc([C@@H]3CCCN3C(=O)Cc3ccccc3)[nH]2)cc1
• InChI: InChI=1S/2C25H30N4O3.C22H23N3O.C21H28N4O3/c2*1-15(2)22(28-25(31)32-4)24(30)29-13-7-10-21(29)23-26-14-20(27-23)19-12-11-16(3)17-8-5-6-9-18(17)19;1-16-9-11-18(12-10-16)19-15-23-22(24-19)20-8-5-13-25(20)21(26)14-17-6-3-2-4-7-17;1-13(2)18(24-21(27)28-4)20(26)25-11-5-6-17(25)19-22-12-16(23-19)15-9-7-14(3)8-10-15/h2*5-6,8-9,11-12,14-15,21-22H,7,10,13H2,1-4H3,(H,26,27)(H,28,31);2-4,6-7,9-12,15,20H,5,8,13-14H2,1H3,(H,23,24);7-10,12-13,17-18H,5-6,11H2,1-4H3,(H,22,23)(H,24,27)/t21-,22?;21-,22+;20-;17-,18+/m0000/s1
• InChIKey: OBJKPJSFUOHRIT-OZGGKIHBSA-N
• XLogP: 16.89
• TPSA: 310.95 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1599.01
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone?

The IUPAC name of methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone (CID 159945040) is methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone.

What is the SMILES notation for methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone?

The canonical SMILES for methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone is COC(=O)NC(C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C)c3ccccc23)[nH]1)C(C)C.COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C)c3ccccc23)[nH]1)C(C)C.COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C)cc2)[nH]1)C(C)C.Cc1ccc(-c2cnc([C@@H]3CCCN3C(=O)Cc3ccccc3)[nH]2)cc1.

What is the InChIKey of methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone?

The InChIKey is OBJKPJSFUOHRIT-OZGGKIHBSA-N. The full InChI is InChI=1S/2C25H30N4O3.C22H23N3O.C21H28N4O3/c2*1-15(2)22(28-25(31)32-4)24(30)29-13-7-10-21(29)23-26-14-20(27-23)19-12-11-16(3)17-8-5-6-9-18(17)19;1-16-9-11-18(12-10-16)19-15-23-22(24-19)20-8-5-13-25(20)21(26)14-17-6-3-2-4-7-17;1-13(2)18(24-21(27)28-4)20(26)25-11-5-6-17(25)19-22-12-16(23-19)15-9-7-14(3)8-10-15/h2*5-6,8-9,11-12,14-15,21-22H,7,10,13H2,1-4H3,(H,26,27)(H,28,31);2-4,6-7,9-12,15,20H,5,8,13-14H2,1H3,(H,23,24);7-10,12-13,17-18H,5-6,11H2,1-4H3,(H,22,23)(H,24,27)/t21-,22?;21-,22+;20-;17-,18+/m0000/s1.

What are the key properties of methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone?

methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 1599.01 g/mol, XLogP of 16.89, 19 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[3-methyl-1-[(2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2R)-3-methyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 159945040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).