[(2R)-2-hydroxy-3-(1H-imidazol-2-yl)propyl] benzoate

C13H14N2O3 — CID 142666099

IUPAC[(2R)-2-hydroxy-3-(1H-imidazol-2-yl)propyl] benzoate
SMILESO=C(OC[C@H](O)Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C13H14N2O3/c16-11(8-12-14-6-7-15-12)9-18-13(17)10-4-2-1-3-5-10/h1-7,11,16H,8-9H2,(H,14,15)/t11-/m1/s1
InChIKeyNWZBQSVABNZKTL-LLVKDONJSA-N
MW246.27 g/mol
LogP1.17
Rot. Bonds5

About [(2R)-2-hydroxy-3-(1H-imidazol-2-yl)propyl] benzoate

[(2R)-2-hydroxy-3-(1H-imidazol-2-yl)propyl] benzoate (PubChem CID 142666099) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-(1H-imidazol-2-yl)propyl] benzoate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-(1H-imidazol-2-yl)propyl] benzoate
PubChem CID142666099
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name[(2R)-2-hydroxy-3-(1H-imidazol-2-yl)propyl] benzoate
SMILESO=C(OC[C@H](O)Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C13H14N2O3/c16-11(8-12-14-6-7-15-12)9-18-13(17)10-4-2-1-3-5-10/h1-7,11,16H,8-9H2,(H,14,15)/t11-/m1/s1
InChIKeyNWZBQSVABNZKTL-LLVKDONJSA-N
XLogP1.17
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-(1H-imidazol-2-yl)propyl] benzoate?
The IUPAC name of [(2R)-2-hydroxy-3-(1H-imidazol-2-yl)propyl] benzoate (CID 142666099) is [(2R)-2-hydroxy-3-(1H-imidazol-2-yl)propyl] benzoate.
What is the SMILES notation for [(2R)-2-hydroxy-3-(1H-imidazol-2-yl)propyl] benzoate?
The canonical SMILES for [(2R)-2-hydroxy-3-(1H-imidazol-2-yl)propyl] benzoate is O=C(OC[C@H](O)Cc1ncc[nH]1)c1ccccc1.
What is the InChIKey of [(2R)-2-hydroxy-3-(1H-imidazol-2-yl)propyl] benzoate?
The InChIKey is NWZBQSVABNZKTL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-11(8-12-14-6-7-15-12)9-18-13(17)10-4-2-1-3-5-10/h1-7,11,16H,8-9H2,(H,14,15)/t11-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-(1H-imidazol-2-yl)propyl] benzoate?
[(2R)-2-hydroxy-3-(1H-imidazol-2-yl)propyl] benzoate has a molecular weight of 246.27 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-(1H-imidazol-2-yl)propyl] benzoate is sourced from PubChem (CID 142666099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).