[1-[2-[5-[6-[4-[2-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

C44H45N7O5 — CID 151346642

About [1-[2-[5-[6-[4-[2-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

[1-[2-[5-[6-[4-[2-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 151346642) has the molecular formula C44H45N7O5 and a molecular weight of 751.89 g/mol. Its IUPAC name is [1-[2-[5-[6-[4-[2-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[2-[5-[6-[4-[2-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
• PubChem CID: 151346642
• Molecular Formula: C44H45N7O5
• Molecular Weight: 751.89 g/mol
• Exact Mass: 751.35
• IUPAC Name: [1-[2-[5-[6-[4-[2-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
• SMILES: CC(C)C(NC(=O)O)C(=O)N1CCCC1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6CCCN6C(=O)C(O)c6ccccc6)[nH]5)cc4)ccc3c2)[nH]1
• InChI: InChI=1S/C44H45N7O5/c1-26(2)38(49-44(55)56)42(53)50-20-6-10-36(50)40-46-25-35(48-40)33-19-18-31-22-30(16-17-32(31)23-33)27-12-14-28(15-13-27)34-24-45-41(47-34)37-11-7-21-51(37)43(54)39(52)29-8-4-3-5-9-29/h3-5,8-9,12-19,22-26,36-39,49,52H,6-7,10-11,20-21H2,1-2H3,(H,45,47)(H,46,48)(H,55,56)
• InChIKey: OLPLZZYDMAFKHN-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 167.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.89
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[2-[5-[6-[4-[2-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?

The IUPAC name of [1-[2-[5-[6-[4-[2-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid (CID 151346642) is [1-[2-[5-[6-[4-[2-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid.

What is the SMILES notation for [1-[2-[5-[6-[4-[2-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?

The canonical SMILES for [1-[2-[5-[6-[4-[2-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid is CC(C)C(NC(=O)O)C(=O)N1CCCC1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6CCCN6C(=O)C(O)c6ccccc6)[nH]5)cc4)ccc3c2)[nH]1.

What is the InChIKey of [1-[2-[5-[6-[4-[2-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?

The InChIKey is OLPLZZYDMAFKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45N7O5/c1-26(2)38(49-44(55)56)42(53)50-20-6-10-36(50)40-46-25-35(48-40)33-19-18-31-22-30(16-17-32(31)23-33)27-12-14-28(15-13-27)34-24-45-41(47-34)37-11-7-21-51(37)43(54)39(52)29-8-4-3-5-9-29/h3-5,8-9,12-19,22-26,36-39,49,52H,6-7,10-11,20-21H2,1-2H3,(H,45,47)(H,46,48)(H,55,56).

What are the key properties of [1-[2-[5-[6-[4-[2-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?

[1-[2-[5-[6-[4-[2-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 751.89 g/mol, XLogP of 7.64, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[5-[6-[4-[2-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 151346642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).