methyl 3-[1-(2-hydroxy-2-phenylethyl)imidazol-2-yl]benzoate

C19H18N2O3 — CID 70771888

IUPACmethyl 3-[1-(2-hydroxy-2-phenylethyl)imidazol-2-yl]benzoate
SMILESCOC(=O)c1cccc(-c2nccn2CC(O)c2ccccc2)c1
InChIInChI=1S/C19H18N2O3/c1-24-19(23)16-9-5-8-15(12-16)18-20-10-11-21(18)13-17(22)14-6-3-2-4-7-14/h2-12,17,22H,13H2,1H3
InChIKeyRWCJZUNKBWSUGU-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.07
Rot. Bonds5

About methyl 3-[1-(2-hydroxy-2-phenylethyl)imidazol-2-yl]benzoate

methyl 3-[1-(2-hydroxy-2-phenylethyl)imidazol-2-yl]benzoate (PubChem CID 70771888) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 3-[1-(2-hydroxy-2-phenylethyl)imidazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[1-(2-hydroxy-2-phenylethyl)imidazol-2-yl]benzoate
PubChem CID70771888
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl 3-[1-(2-hydroxy-2-phenylethyl)imidazol-2-yl]benzoate
SMILESCOC(=O)c1cccc(-c2nccn2CC(O)c2ccccc2)c1
InChIInChI=1S/C19H18N2O3/c1-24-19(23)16-9-5-8-15(12-16)18-20-10-11-21(18)13-17(22)14-6-3-2-4-7-14/h2-12,17,22H,13H2,1H3
InChIKeyRWCJZUNKBWSUGU-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2-hydroxy-2-phenylethyl)imidazol-2-yl]benzoate?
The IUPAC name of methyl 3-[1-(2-hydroxy-2-phenylethyl)imidazol-2-yl]benzoate (CID 70771888) is methyl 3-[1-(2-hydroxy-2-phenylethyl)imidazol-2-yl]benzoate.
What is the SMILES notation for methyl 3-[1-(2-hydroxy-2-phenylethyl)imidazol-2-yl]benzoate?
The canonical SMILES for methyl 3-[1-(2-hydroxy-2-phenylethyl)imidazol-2-yl]benzoate is COC(=O)c1cccc(-c2nccn2CC(O)c2ccccc2)c1.
What is the InChIKey of methyl 3-[1-(2-hydroxy-2-phenylethyl)imidazol-2-yl]benzoate?
The InChIKey is RWCJZUNKBWSUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-24-19(23)16-9-5-8-15(12-16)18-20-10-11-21(18)13-17(22)14-6-3-2-4-7-14/h2-12,17,22H,13H2,1H3.
What are the key properties of methyl 3-[1-(2-hydroxy-2-phenylethyl)imidazol-2-yl]benzoate?
methyl 3-[1-(2-hydroxy-2-phenylethyl)imidazol-2-yl]benzoate has a molecular weight of 322.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2-hydroxy-2-phenylethyl)imidazol-2-yl]benzoate is sourced from PubChem (CID 70771888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).