5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione

C28H25IN4O4 — CID 67001263

IUPAC5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione
SMILESO=C1NC(c2ccc(OCCO)cc2)C(=O)N1[C@@H](Cc1ccccc1)c1ncc(-c2ccc(I)cc2)[nH]1
InChIInChI=1S/C28H25IN4O4/c29-21-10-6-19(7-11-21)23-17-30-26(31-23)24(16-18-4-2-1-3-5-18)33-27(35)25(32-28(33)36)20-8-12-22(13-9-20)37-15-14-34/h1-13,17,24-25,34H,14-16H2,(H,30,31)(H,32,36)/t24-,25?/m0/s1
InChIKeyYWTYVYAYXBGEJJ-SKCDSABHSA-N
MW608.44 g/mol
LogP4.63
Rot. Bonds9

About 5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione

5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione (PubChem CID 67001263) has the molecular formula C28H25IN4O4 and a molecular weight of 608.44 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione
PubChem CID67001263
Molecular FormulaC28H25IN4O4
Molecular Weight608.44 g/mol
Exact Mass608.09
IUPAC Name5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione
SMILESO=C1NC(c2ccc(OCCO)cc2)C(=O)N1[C@@H](Cc1ccccc1)c1ncc(-c2ccc(I)cc2)[nH]1
InChIInChI=1S/C28H25IN4O4/c29-21-10-6-19(7-11-21)23-17-30-26(31-23)24(16-18-4-2-1-3-5-18)33-27(35)25(32-28(33)36)20-8-12-22(13-9-20)37-15-14-34/h1-13,17,24-25,34H,14-16H2,(H,30,31)(H,32,36)/t24-,25?/m0/s1
InChIKeyYWTYVYAYXBGEJJ-SKCDSABHSA-N
XLogP4.63
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.44
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione (CID 67001263) is 5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione is O=C1NC(c2ccc(OCCO)cc2)C(=O)N1[C@@H](Cc1ccccc1)c1ncc(-c2ccc(I)cc2)[nH]1.
What is the InChIKey of 5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione?
The InChIKey is YWTYVYAYXBGEJJ-SKCDSABHSA-N. The full InChI is InChI=1S/C28H25IN4O4/c29-21-10-6-19(7-11-21)23-17-30-26(31-23)24(16-18-4-2-1-3-5-18)33-27(35)25(32-28(33)36)20-8-12-22(13-9-20)37-15-14-34/h1-13,17,24-25,34H,14-16H2,(H,30,31)(H,32,36)/t24-,25?/m0/s1.
What are the key properties of 5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione?
5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione has a molecular weight of 608.44 g/mol, XLogP of 4.63, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethoxy)phenyl]-3-[(1S)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 67001263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).