4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine

C19H20FN3O — CID 10544044

IUPAC4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
SMILESCCOCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H20FN3O/c1-2-24-13-3-12-23-14-22-18(15-4-6-17(20)7-5-15)19(23)16-8-10-21-11-9-16/h4-11,14H,2-3,12-13H2,1H3
InChIKeyHSHCBSSOMDJQKJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.18
Rot. Bonds7

About 4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine

4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine (PubChem CID 10544044) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
PubChem CID10544044
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
SMILESCCOCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H20FN3O/c1-2-24-13-3-12-23-14-22-18(15-4-6-17(20)7-5-15)19(23)16-8-10-21-11-9-16/h4-11,14H,2-3,12-13H2,1H3
InChIKeyHSHCBSSOMDJQKJ-UHFFFAOYSA-N
XLogP4.18
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine 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 4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine (CID 10544044) is 4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine is CCOCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine?
The InChIKey is HSHCBSSOMDJQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-2-24-13-3-12-23-14-22-18(15-4-6-17(20)7-5-15)19(23)16-8-10-21-11-9-16/h4-11,14H,2-3,12-13H2,1H3.
What are the key properties of 4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine?
4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine has a molecular weight of 325.39 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 10544044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).