2-[4-[(4R)-1-[(2S)-1-[5-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide

C31H29ClFN5O4 — CID 70991388

About 2-[4-[(4R)-1-[(2S)-1-[5-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide

2-[4-[(4R)-1-[(2S)-1-[5-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide (PubChem CID 70991388) has the molecular formula C31H29ClFN5O4 and a molecular weight of 590.06 g/mol. Its IUPAC name is 2-[4-[(4R)-1-[(2S)-1-[5-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[(4R)-1-[(2S)-1-[5-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide
• PubChem CID: 70991388
• Molecular Formula: C31H29ClFN5O4
• Molecular Weight: 590.06 g/mol
• Exact Mass: 589.19
• IUPAC Name: 2-[4-[(4R)-1-[(2S)-1-[5-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide
• SMILES: C[C@@H](c1ccccc1)C(c1ncc(-c2ccc(Cl)cc2F)[nH]1)N1C(=O)N[C@H](c2ccc(OCC(=O)N(C)C)cc2)C1=O
• InChI: InChI=1S/C31H29ClFN5O4/c1-18(19-7-5-4-6-8-19)28(29-34-16-25(35-29)23-14-11-21(32)15-24(23)33)38-30(40)27(36-31(38)41)20-9-12-22(13-10-20)42-17-26(39)37(2)3/h4-16,18,27-28H,17H2,1-3H3,(H,34,35)(H,36,41)/t18-,27+,28?/m0/s1
• InChIKey: AZJSWSJTZKFEFS-NDAFVMCVSA-N
• XLogP: 5.47
• TPSA: 107.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.06
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4R)-1-[(2S)-1-[5-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide?

The IUPAC name of 2-[4-[(4R)-1-[(2S)-1-[5-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide (CID 70991388) is 2-[4-[(4R)-1-[(2S)-1-[5-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[4-[(4R)-1-[(2S)-1-[5-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide?

The canonical SMILES for 2-[4-[(4R)-1-[(2S)-1-[5-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide is C[C@@H](c1ccccc1)C(c1ncc(-c2ccc(Cl)cc2F)[nH]1)N1C(=O)N[C@H](c2ccc(OCC(=O)N(C)C)cc2)C1=O.

What is the InChIKey of 2-[4-[(4R)-1-[(2S)-1-[5-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide?

The InChIKey is AZJSWSJTZKFEFS-NDAFVMCVSA-N. The full InChI is InChI=1S/C31H29ClFN5O4/c1-18(19-7-5-4-6-8-19)28(29-34-16-25(35-29)23-14-11-21(32)15-24(23)33)38-30(40)27(36-31(38)41)20-9-12-22(13-10-20)42-17-26(39)37(2)3/h4-16,18,27-28H,17H2,1-3H3,(H,34,35)(H,36,41)/t18-,27+,28?/m0/s1.

What are the key properties of 2-[4-[(4R)-1-[(2S)-1-[5-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide?

2-[4-[(4R)-1-[(2S)-1-[5-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 590.06 g/mol, XLogP of 5.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(4R)-1-[(2S)-1-[5-(4-chloro-2-fluorophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-2,5-dioxoimidazolidin-4-yl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 70991388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).