Methyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate

Name: Methyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₄FN₃O₃ — CID 121456505

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate

SMILESCOC(=O)C(c1ccc(C#N)cc1F)n1cncc1CCO

InChIInChI=1S/C15H14FN3O3/c1-22-15(21)14(19-9-18-8-11(19)4-5-20)12-3-2-10(7-17)6-13(12)16/h2-3,6,8-9,14,20H,4-5H2,1H3

InChIKeyNQZHDCUTHOKYRX-UHFFFAOYSA-N

MW303.29 g/mol

LogP1.19

Rot. Bonds5

About Methyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate

Methyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate (PubChem CID 121456505) has the molecular formula C₁₅H₁₄FN₃O₃ and a molecular weight of 303.29 g/mol. Its IUPAC name is methyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate.

Molecular Properties

Compound Name	Methyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate
PubChem CID	121456505
Molecular Formula	C₁₅H₁₄FN₃O₃
Molecular Weight	303.29 g/mol
Exact Mass	303.10
IUPAC Name	methyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate
SMILES	COC(=O)C(c1ccc(C#N)cc1F)n1cncc1CCO
InChI	InChI=1S/C15H14FN3O3/c1-22-15(21)14(19-9-18-8-11(19)4-5-20)12-3-2-10(7-17)6-13(12)16/h2-3,6,8-9,14,20H,4-5H2,1H3
InChIKey	NQZHDCUTHOKYRX-UHFFFAOYSA-N
XLogP	1.19
TPSA	88.14 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.29
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Methyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate?

The IUPAC name of Methyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate (CID 121456505) is methyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate.

What is the SMILES notation for Methyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate?

The canonical SMILES for Methyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate is COC(=O)C(c1ccc(C#N)cc1F)n1cncc1CCO.

What is the InChIKey of Methyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate?

The InChIKey is NQZHDCUTHOKYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-22-15(21)14(19-9-18-8-11(19)4-5-20)12-3-2-10(7-17)6-13(12)16/h2-3,6,8-9,14,20H,4-5H2,1H3.

What are the key properties of Methyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate?

Methyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate has a molecular weight of 303.29 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-(4-cyano-2-fluorophenyl)-2-[5-(2-hydroxyethyl)imidazol-1-yl]acetate is sourced from PubChem (CID 121456505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 121456505 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.