methyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate

C14H15FN2O2 — CID 45103704

IUPACmethyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate
SMILESCOC(=O)CCc1cncn1Cc1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2/c1-19-14(18)7-6-13-8-16-10-17(13)9-11-2-4-12(15)5-3-11/h2-5,8,10H,6-7,9H2,1H3
InChIKeyKCKQURXFSZDYFU-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.18
Rot. Bonds5

About methyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate

methyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate (PubChem CID 45103704) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is methyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate
PubChem CID45103704
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Namemethyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate
SMILESCOC(=O)CCc1cncn1Cc1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2/c1-19-14(18)7-6-13-8-16-10-17(13)9-11-2-4-12(15)5-3-11/h2-5,8,10H,6-7,9H2,1H3
InChIKeyKCKQURXFSZDYFU-UHFFFAOYSA-N
XLogP2.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate?
The IUPAC name of methyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate (CID 45103704) is methyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate is COC(=O)CCc1cncn1Cc1ccc(F)cc1.
What is the InChIKey of methyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate?
The InChIKey is KCKQURXFSZDYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-19-14(18)7-6-13-8-16-10-17(13)9-11-2-4-12(15)5-3-11/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of methyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate?
methyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate has a molecular weight of 262.28 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]propanoate is sourced from PubChem (CID 45103704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).