5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole

C14H13FN2O2 — CID 90075805

IUPAC5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole
SMILESCOCOc1cc(F)cc(C#Cc2cncn2C)c1
InChIInChI=1S/C14H13FN2O2/c1-17-9-16-8-13(17)4-3-11-5-12(15)7-14(6-11)19-10-18-2/h5-9H,10H2,1-2H3
InChIKeyDFVXNYYIVMWMFV-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.94
Rot. Bonds3

About 5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole

5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole (PubChem CID 90075805) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole
PubChem CID90075805
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole
SMILESCOCOc1cc(F)cc(C#Cc2cncn2C)c1
InChIInChI=1S/C14H13FN2O2/c1-17-9-16-8-13(17)4-3-11-5-12(15)7-14(6-11)19-10-18-2/h5-9H,10H2,1-2H3
InChIKeyDFVXNYYIVMWMFV-UHFFFAOYSA-N
XLogP1.94
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole 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 5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole?
The IUPAC name of 5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole (CID 90075805) is 5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole.
What is the SMILES notation for 5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole?
The canonical SMILES for 5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole is COCOc1cc(F)cc(C#Cc2cncn2C)c1.
What is the InChIKey of 5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole?
The InChIKey is DFVXNYYIVMWMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-17-9-16-8-13(17)4-3-11-5-12(15)7-14(6-11)19-10-18-2/h5-9H,10H2,1-2H3.
What are the key properties of 5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole?
5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole has a molecular weight of 260.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole is sourced from PubChem (CID 90075805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).