4-[(4S,5R)-4-(4-hydroxy-2-iodophenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-iodophenol

C15H12I2N2O2 — CID 10346077

IUPAC4-[(4S,5R)-4-(4-hydroxy-2-iodophenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-iodophenol
SMILESOc1ccc([C@H]2NC=N[C@H]2c2ccc(O)cc2I)c(I)c1
InChIInChI=1S/C15H12I2N2O2/c16-12-5-8(20)1-3-10(12)14-15(19-7-18-14)11-4-2-9(21)6-13(11)17/h1-7,14-15,20-21H,(H,18,19)/t14-,15+
InChIKeyPSYOLUOXRAVXSM-GASCZTMLSA-N
MW506.08 g/mol
LogP3.72
Rot. Bonds2

About 4-[(4S,5R)-4-(4-hydroxy-2-iodophenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-iodophenol

4-[(4S,5R)-4-(4-hydroxy-2-iodophenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-iodophenol (PubChem CID 10346077) has the molecular formula C15H12I2N2O2 and a molecular weight of 506.08 g/mol. Its IUPAC name is 4-[(4S,5R)-4-(4-hydroxy-2-iodophenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-iodophenol.

Molecular Properties

Compound Name4-[(4S,5R)-4-(4-hydroxy-2-iodophenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-iodophenol
PubChem CID10346077
Molecular FormulaC15H12I2N2O2
Molecular Weight506.08 g/mol
Exact Mass505.90
IUPAC Name4-[(4S,5R)-4-(4-hydroxy-2-iodophenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-iodophenol
SMILESOc1ccc([C@H]2NC=N[C@H]2c2ccc(O)cc2I)c(I)c1
InChIInChI=1S/C15H12I2N2O2/c16-12-5-8(20)1-3-10(12)14-15(19-7-18-14)11-4-2-9(21)6-13(11)17/h1-7,14-15,20-21H,(H,18,19)/t14-,15+
InChIKeyPSYOLUOXRAVXSM-GASCZTMLSA-N
XLogP3.72
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.08
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4S,5R)-4-(4-hydroxy-2-iodophenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-iodophenol?
The IUPAC name of 4-[(4S,5R)-4-(4-hydroxy-2-iodophenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-iodophenol (CID 10346077) is 4-[(4S,5R)-4-(4-hydroxy-2-iodophenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-iodophenol.
What is the SMILES notation for 4-[(4S,5R)-4-(4-hydroxy-2-iodophenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-iodophenol?
The canonical SMILES for 4-[(4S,5R)-4-(4-hydroxy-2-iodophenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-iodophenol is Oc1ccc([C@H]2NC=N[C@H]2c2ccc(O)cc2I)c(I)c1.
What is the InChIKey of 4-[(4S,5R)-4-(4-hydroxy-2-iodophenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-iodophenol?
The InChIKey is PSYOLUOXRAVXSM-GASCZTMLSA-N. The full InChI is InChI=1S/C15H12I2N2O2/c16-12-5-8(20)1-3-10(12)14-15(19-7-18-14)11-4-2-9(21)6-13(11)17/h1-7,14-15,20-21H,(H,18,19)/t14-,15+.
What are the key properties of 4-[(4S,5R)-4-(4-hydroxy-2-iodophenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-iodophenol?
4-[(4S,5R)-4-(4-hydroxy-2-iodophenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-iodophenol has a molecular weight of 506.08 g/mol, XLogP of 3.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S,5R)-4-(4-hydroxy-2-iodophenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-iodophenol is sourced from PubChem (CID 10346077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).