3-[(1R)-1-[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-hydroxy-5-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazol-2-one

C32H29BrClN5O4 — CID 90693907

About 3-[(1R)-1-[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-hydroxy-5-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazol-2-one

3-[(1R)-1-[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-hydroxy-5-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazol-2-one (PubChem CID 90693907) has the molecular formula C32H29BrClN5O4 and a molecular weight of 662.97 g/mol. Its IUPAC name is 3-[(1R)-1-[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-hydroxy-5-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazol-2-one.

Molecular Properties

• Compound Name: 3-[(1R)-1-[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-hydroxy-5-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazol-2-one
• PubChem CID: 90693907
• Molecular Formula: C32H29BrClN5O4
• Molecular Weight: 662.97 g/mol
• Exact Mass: 661.11
• IUPAC Name: 3-[(1R)-1-[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-hydroxy-5-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazol-2-one
• SMILES: O=C(COc1ccc(-c2[nH]c(=O)n([C@H](Cc3ccccc3)c3ncc(-c4ccc(Br)cc4Cl)[nH]3)c2O)cc1)N1CCCC1
• InChI: InChI=1S/C32H29BrClN5O4/c33-22-10-13-24(25(34)17-22)26-18-35-30(36-26)27(16-20-6-2-1-3-7-20)39-31(41)29(37-32(39)42)21-8-11-23(12-9-21)43-19-28(40)38-14-4-5-15-38/h1-3,6-13,17-18,27,41H,4-5,14-16,19H2,(H,35,36)(H,37,42)/t27-/m1/s1
• InChIKey: IPBDSSVQJWSSGC-HHHXNRCGSA-N
• XLogP: 6.19
• TPSA: 116.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.97
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-hydroxy-5-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazol-2-one?

The IUPAC name of 3-[(1R)-1-[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-hydroxy-5-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazol-2-one (CID 90693907) is 3-[(1R)-1-[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-hydroxy-5-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazol-2-one.

What is the SMILES notation for 3-[(1R)-1-[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-hydroxy-5-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazol-2-one?

The canonical SMILES for 3-[(1R)-1-[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-hydroxy-5-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazol-2-one is O=C(COc1ccc(-c2[nH]c(=O)n([C@H](Cc3ccccc3)c3ncc(-c4ccc(Br)cc4Cl)[nH]3)c2O)cc1)N1CCCC1.

What is the InChIKey of 3-[(1R)-1-[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-hydroxy-5-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazol-2-one?

The InChIKey is IPBDSSVQJWSSGC-HHHXNRCGSA-N. The full InChI is InChI=1S/C32H29BrClN5O4/c33-22-10-13-24(25(34)17-22)26-18-35-30(36-26)27(16-20-6-2-1-3-7-20)39-31(41)29(37-32(39)42)21-8-11-23(12-9-21)43-19-28(40)38-14-4-5-15-38/h1-3,6-13,17-18,27,41H,4-5,14-16,19H2,(H,35,36)(H,37,42)/t27-/m1/s1.

What are the key properties of 3-[(1R)-1-[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-hydroxy-5-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazol-2-one?

3-[(1R)-1-[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-hydroxy-5-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazol-2-one has a molecular weight of 662.97 g/mol, XLogP of 6.19, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R)-1-[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-hydroxy-5-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 90693907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).