[(2R)-2-imidazol-1-yl-1-phenoxypropan-2-yl] 4-chlorobenzoate

C19H17ClN2O3 — CID 67228477

IUPAC[(2R)-2-imidazol-1-yl-1-phenoxypropan-2-yl] 4-chlorobenzoate
SMILESC[C@](COc1ccccc1)(OC(=O)c1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C19H17ClN2O3/c1-19(22-12-11-21-14-22,13-24-17-5-3-2-4-6-17)25-18(23)15-7-9-16(20)10-8-15/h2-12,14H,13H2,1H3/t19-/m1/s1
InChIKeyJOMXILOFMSDXBZ-LJQANCHMSA-N
MW356.81 g/mol
LogP4.15
Rot. Bonds6

About [(2R)-2-imidazol-1-yl-1-phenoxypropan-2-yl] 4-chlorobenzoate

[(2R)-2-imidazol-1-yl-1-phenoxypropan-2-yl] 4-chlorobenzoate (PubChem CID 67228477) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is [(2R)-2-imidazol-1-yl-1-phenoxypropan-2-yl] 4-chlorobenzoate.

Molecular Properties

Compound Name[(2R)-2-imidazol-1-yl-1-phenoxypropan-2-yl] 4-chlorobenzoate
PubChem CID67228477
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name[(2R)-2-imidazol-1-yl-1-phenoxypropan-2-yl] 4-chlorobenzoate
SMILESC[C@](COc1ccccc1)(OC(=O)c1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C19H17ClN2O3/c1-19(22-12-11-21-14-22,13-24-17-5-3-2-4-6-17)25-18(23)15-7-9-16(20)10-8-15/h2-12,14H,13H2,1H3/t19-/m1/s1
InChIKeyJOMXILOFMSDXBZ-LJQANCHMSA-N
XLogP4.15
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-imidazol-1-yl-1-phenoxypropan-2-yl] 4-chlorobenzoate?
The IUPAC name of [(2R)-2-imidazol-1-yl-1-phenoxypropan-2-yl] 4-chlorobenzoate (CID 67228477) is [(2R)-2-imidazol-1-yl-1-phenoxypropan-2-yl] 4-chlorobenzoate.
What is the SMILES notation for [(2R)-2-imidazol-1-yl-1-phenoxypropan-2-yl] 4-chlorobenzoate?
The canonical SMILES for [(2R)-2-imidazol-1-yl-1-phenoxypropan-2-yl] 4-chlorobenzoate is C[C@](COc1ccccc1)(OC(=O)c1ccc(Cl)cc1)n1ccnc1.
What is the InChIKey of [(2R)-2-imidazol-1-yl-1-phenoxypropan-2-yl] 4-chlorobenzoate?
The InChIKey is JOMXILOFMSDXBZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-19(22-12-11-21-14-22,13-24-17-5-3-2-4-6-17)25-18(23)15-7-9-16(20)10-8-15/h2-12,14H,13H2,1H3/t19-/m1/s1.
What are the key properties of [(2R)-2-imidazol-1-yl-1-phenoxypropan-2-yl] 4-chlorobenzoate?
[(2R)-2-imidazol-1-yl-1-phenoxypropan-2-yl] 4-chlorobenzoate has a molecular weight of 356.81 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-imidazol-1-yl-1-phenoxypropan-2-yl] 4-chlorobenzoate is sourced from PubChem (CID 67228477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).