[(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-phenylbenzoate

C24H19FN2O2 — CID 127034579

IUPAC[(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-phenylbenzoate
SMILESO=C(O[C@@H](Cn1ccnc1)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H19FN2O2/c25-22-12-10-20(11-13-22)23(16-27-15-14-26-17-27)29-24(28)21-8-6-19(7-9-21)18-4-2-1-3-5-18/h1-15,17,23H,16H2/t23-/m0/s1
InChIKeyPAKOONUBMFWMHZ-QHCPKHFHSA-N
MW386.43 g/mol
LogP5.29
Rot. Bonds6

About [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-phenylbenzoate

[(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-phenylbenzoate (PubChem CID 127034579) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-phenylbenzoate.

Molecular Properties

Compound Name[(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-phenylbenzoate
PubChem CID127034579
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name[(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-phenylbenzoate
SMILESO=C(O[C@@H](Cn1ccnc1)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H19FN2O2/c25-22-12-10-20(11-13-22)23(16-27-15-14-26-17-27)29-24(28)21-8-6-19(7-9-21)18-4-2-1-3-5-18/h1-15,17,23H,16H2/t23-/m0/s1
InChIKeyPAKOONUBMFWMHZ-QHCPKHFHSA-N
XLogP5.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-phenylbenzoate?
The IUPAC name of [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-phenylbenzoate (CID 127034579) is [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-phenylbenzoate.
What is the SMILES notation for [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-phenylbenzoate?
The canonical SMILES for [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-phenylbenzoate is O=C(O[C@@H](Cn1ccnc1)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-phenylbenzoate?
The InChIKey is PAKOONUBMFWMHZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H19FN2O2/c25-22-12-10-20(11-13-22)23(16-27-15-14-26-17-27)29-24(28)21-8-6-19(7-9-21)18-4-2-1-3-5-18/h1-15,17,23H,16H2/t23-/m0/s1.
What are the key properties of [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-phenylbenzoate?
[(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-phenylbenzoate has a molecular weight of 386.43 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluorophenyl)-2-imidazol-1-ylethyl] 4-phenylbenzoate is sourced from PubChem (CID 127034579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).