(5R)-3-[(1S,2S)-1-[4-(2-fluoro-4-iodophenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-methylimidazolidine-2,4-dione

C23H22FIN4O2 — CID 70670672

IUPAC(5R)-3-[(1S,2S)-1-[4-(2-fluoro-4-iodophenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-methylimidazolidine-2,4-dione
SMILESCc1[nH]c([C@H]([C@@H](C)c2ccccc2)N2C(=O)N[C@H](C)C2=O)nc1-c1ccc(I)cc1F
InChIInChI=1S/C23H22FIN4O2/c1-12(15-7-5-4-6-8-15)20(29-22(30)14(3)27-23(29)31)21-26-13(2)19(28-21)17-10-9-16(25)11-18(17)24/h4-12,14,20H,1-3H3,(H,26,28)(H,27,31)/t12-,14+,20-/m0/s1
InChIKeySLOQFBWNERKOIL-HKMRUAMVSA-N
MW532.36 g/mol
LogP4.91
Rot. Bonds5

About (5R)-3-[(1S,2S)-1-[4-(2-fluoro-4-iodophenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-methylimidazolidine-2,4-dione

(5R)-3-[(1S,2S)-1-[4-(2-fluoro-4-iodophenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 70670672) has the molecular formula C23H22FIN4O2 and a molecular weight of 532.36 g/mol. Its IUPAC name is (5R)-3-[(1S,2S)-1-[4-(2-fluoro-4-iodophenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(1S,2S)-1-[4-(2-fluoro-4-iodophenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-methylimidazolidine-2,4-dione
PubChem CID70670672
Molecular FormulaC23H22FIN4O2
Molecular Weight532.36 g/mol
Exact Mass532.08
IUPAC Name(5R)-3-[(1S,2S)-1-[4-(2-fluoro-4-iodophenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-methylimidazolidine-2,4-dione
SMILESCc1[nH]c([C@H]([C@@H](C)c2ccccc2)N2C(=O)N[C@H](C)C2=O)nc1-c1ccc(I)cc1F
InChIInChI=1S/C23H22FIN4O2/c1-12(15-7-5-4-6-8-15)20(29-22(30)14(3)27-23(29)31)21-26-13(2)19(28-21)17-10-9-16(25)11-18(17)24/h4-12,14,20H,1-3H3,(H,26,28)(H,27,31)/t12-,14+,20-/m0/s1
InChIKeySLOQFBWNERKOIL-HKMRUAMVSA-N
XLogP4.91
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.36
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(1S,2S)-1-[4-(2-fluoro-4-iodophenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(1S,2S)-1-[4-(2-fluoro-4-iodophenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-methylimidazolidine-2,4-dione (CID 70670672) is (5R)-3-[(1S,2S)-1-[4-(2-fluoro-4-iodophenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(1S,2S)-1-[4-(2-fluoro-4-iodophenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(1S,2S)-1-[4-(2-fluoro-4-iodophenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-methylimidazolidine-2,4-dione is Cc1[nH]c([C@H]([C@@H](C)c2ccccc2)N2C(=O)N[C@H](C)C2=O)nc1-c1ccc(I)cc1F.
What is the InChIKey of (5R)-3-[(1S,2S)-1-[4-(2-fluoro-4-iodophenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is SLOQFBWNERKOIL-HKMRUAMVSA-N. The full InChI is InChI=1S/C23H22FIN4O2/c1-12(15-7-5-4-6-8-15)20(29-22(30)14(3)27-23(29)31)21-26-13(2)19(28-21)17-10-9-16(25)11-18(17)24/h4-12,14,20H,1-3H3,(H,26,28)(H,27,31)/t12-,14+,20-/m0/s1.
What are the key properties of (5R)-3-[(1S,2S)-1-[4-(2-fluoro-4-iodophenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-methylimidazolidine-2,4-dione?
(5R)-3-[(1S,2S)-1-[4-(2-fluoro-4-iodophenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 532.36 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(1S,2S)-1-[4-(2-fluoro-4-iodophenyl)-5-methyl-1H-imidazol-2-yl]-2-phenylpropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 70670672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).