[(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate

C24H20N2O2 — CID 73353438

IUPAC[(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate
SMILESO=C(O[C@@H](Cn1ccnc1)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2/c27-24(22-13-11-20(12-14-22)19-7-3-1-4-8-19)28-23(17-26-16-15-25-18-26)21-9-5-2-6-10-21/h1-16,18,23H,17H2/t23-/m0/s1
InChIKeyRYYLZOUXUDQNJZ-QHCPKHFHSA-N
MW368.44 g/mol
LogP5.15
Rot. Bonds6

About [(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate

[(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate (PubChem CID 73353438) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is [(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate.

Molecular Properties

Compound Name[(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate
PubChem CID73353438
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name[(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate
SMILESO=C(O[C@@H](Cn1ccnc1)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2/c27-24(22-13-11-20(12-14-22)19-7-3-1-4-8-19)28-23(17-26-16-15-25-18-26)21-9-5-2-6-10-21/h1-16,18,23H,17H2/t23-/m0/s1
InChIKeyRYYLZOUXUDQNJZ-QHCPKHFHSA-N
XLogP5.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate 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 [(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate?
The IUPAC name of [(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate (CID 73353438) is [(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate.
What is the SMILES notation for [(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate?
The canonical SMILES for [(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate is O=C(O[C@@H](Cn1ccnc1)c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate?
The InChIKey is RYYLZOUXUDQNJZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H20N2O2/c27-24(22-13-11-20(12-14-22)19-7-3-1-4-8-19)28-23(17-26-16-15-25-18-26)21-9-5-2-6-10-21/h1-16,18,23H,17H2/t23-/m0/s1.
What are the key properties of [(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate?
[(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate has a molecular weight of 368.44 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate is sourced from PubChem (CID 73353438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).