(5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]imidazolidine-2,4-dione

C30H27ClFIN4O5 — CID 70991538

IUPAC(5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]imidazolidine-2,4-dione
SMILESC[C@@H](c1ccccc1)C(c1nc(-c2ccc(I)cc2F)c(Cl)[nH]1)N1C(=O)N[C@H](c2ccc(OC[C@@H](O)CO)cc2)C1=O
InChIInChI=1S/C30H27ClFIN4O5/c1-16(17-5-3-2-4-6-17)26(28-34-25(27(31)36-28)22-12-9-19(33)13-23(22)32)37-29(40)24(35-30(37)41)18-7-10-21(11-8-18)42-15-20(39)14-38/h2-13,16,20,24,26,38-39H,14-15H2,1H3,(H,34,36)(H,35,41)/t16-,20-,24+,26?/m0/s1
InChIKeyKSXWNSASQPQGMQ-ZSCCYKRHSA-N
MW704.92 g/mol
LogP5.34
Rot. Bonds10

About (5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]imidazolidine-2,4-dione

(5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]imidazolidine-2,4-dione (PubChem CID 70991538) has the molecular formula C30H27ClFIN4O5 and a molecular weight of 704.92 g/mol. Its IUPAC name is (5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]imidazolidine-2,4-dione
PubChem CID70991538
Molecular FormulaC30H27ClFIN4O5
Molecular Weight704.92 g/mol
Exact Mass704.07
IUPAC Name(5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]imidazolidine-2,4-dione
SMILESC[C@@H](c1ccccc1)C(c1nc(-c2ccc(I)cc2F)c(Cl)[nH]1)N1C(=O)N[C@H](c2ccc(OC[C@@H](O)CO)cc2)C1=O
InChIInChI=1S/C30H27ClFIN4O5/c1-16(17-5-3-2-4-6-17)26(28-34-25(27(31)36-28)22-12-9-19(33)13-23(22)32)37-29(40)24(35-30(37)41)18-7-10-21(11-8-18)42-15-20(39)14-38/h2-13,16,20,24,26,38-39H,14-15H2,1H3,(H,34,36)(H,35,41)/t16-,20-,24+,26?/m0/s1
InChIKeyKSXWNSASQPQGMQ-ZSCCYKRHSA-N
XLogP5.34
TPSA127.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.92
LogP ≤ 55.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]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 (5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]imidazolidine-2,4-dione (CID 70991538) is (5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]imidazolidine-2,4-dione is C[C@@H](c1ccccc1)C(c1nc(-c2ccc(I)cc2F)c(Cl)[nH]1)N1C(=O)N[C@H](c2ccc(OC[C@@H](O)CO)cc2)C1=O.
What is the InChIKey of (5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]imidazolidine-2,4-dione?
The InChIKey is KSXWNSASQPQGMQ-ZSCCYKRHSA-N. The full InChI is InChI=1S/C30H27ClFIN4O5/c1-16(17-5-3-2-4-6-17)26(28-34-25(27(31)36-28)22-12-9-19(33)13-23(22)32)37-29(40)24(35-30(37)41)18-7-10-21(11-8-18)42-15-20(39)14-38/h2-13,16,20,24,26,38-39H,14-15H2,1H3,(H,34,36)(H,35,41)/t16-,20-,24+,26?/m0/s1.
What are the key properties of (5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]imidazolidine-2,4-dione?
(5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]imidazolidine-2,4-dione has a molecular weight of 704.92 g/mol, XLogP of 5.34, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2S)-1-[5-chloro-4-(2-fluoro-4-iodophenyl)-1H-imidazol-2-yl]-2-phenylpropyl]-5-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70991538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).