4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one

C23H19IN4O2 — CID 91239954

IUPAC4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one
SMILESC#CCc1[nH]c(=O)n([C@H](Cc2ccccc2)c2ncc(-c3ccc(I)cc3)[nH]2)c1O
InChIInChI=1S/C23H19IN4O2/c1-2-6-18-22(29)28(23(30)27-18)20(13-15-7-4-3-5-8-15)21-25-14-19(26-21)16-9-11-17(24)12-10-16/h1,3-5,7-12,14,20,29H,6,13H2,(H,25,26)(H,27,30)/t20-/m1/s1
InChIKeyAWSXYUZMFRGCKF-HXUWFJFHSA-N
MW510.34 g/mol
LogP3.88
Rot. Bonds6

About 4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one

4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one (PubChem CID 91239954) has the molecular formula C23H19IN4O2 and a molecular weight of 510.34 g/mol. Its IUPAC name is 4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one
PubChem CID91239954
Molecular FormulaC23H19IN4O2
Molecular Weight510.34 g/mol
Exact Mass510.06
IUPAC Name4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one
SMILESC#CCc1[nH]c(=O)n([C@H](Cc2ccccc2)c2ncc(-c3ccc(I)cc3)[nH]2)c1O
InChIInChI=1S/C23H19IN4O2/c1-2-6-18-22(29)28(23(30)27-18)20(13-15-7-4-3-5-8-15)21-25-14-19(26-21)16-9-11-17(24)12-10-16/h1,3-5,7-12,14,20,29H,6,13H2,(H,25,26)(H,27,30)/t20-/m1/s1
InChIKeyAWSXYUZMFRGCKF-HXUWFJFHSA-N
XLogP3.88
TPSA86.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.34
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one 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 4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one?
The IUPAC name of 4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one (CID 91239954) is 4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one?
The canonical SMILES for 4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one is C#CCc1[nH]c(=O)n([C@H](Cc2ccccc2)c2ncc(-c3ccc(I)cc3)[nH]2)c1O.
What is the InChIKey of 4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one?
The InChIKey is AWSXYUZMFRGCKF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H19IN4O2/c1-2-6-18-22(29)28(23(30)27-18)20(13-15-7-4-3-5-8-15)21-25-14-19(26-21)16-9-11-17(24)12-10-16/h1,3-5,7-12,14,20,29H,6,13H2,(H,25,26)(H,27,30)/t20-/m1/s1.
What are the key properties of 4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one?
4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one has a molecular weight of 510.34 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(1R)-1-[5-(4-iodophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-5-prop-2-ynyl-1H-imidazol-2-one is sourced from PubChem (CID 91239954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).