4-[2-(3-chloropropyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine

C17H15ClFN3 — CID 15429031

IUPAC4-[2-(3-chloropropyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(CCCCl)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C17H15ClFN3/c18-9-1-2-15-21-16(12-3-5-14(19)6-4-12)17(22-15)13-7-10-20-11-8-13/h3-8,10-11H,1-2,9H2,(H,21,22)
InChIKeyRIEOVHLTJLAOOM-UHFFFAOYSA-N
MW315.78 g/mol
LogP4.45
Rot. Bonds5

About 4-[2-(3-chloropropyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine

4-[2-(3-chloropropyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 15429031) has the molecular formula C17H15ClFN3 and a molecular weight of 315.78 g/mol. Its IUPAC name is 4-[2-(3-chloropropyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-(3-chloropropyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
PubChem CID15429031
Molecular FormulaC17H15ClFN3
Molecular Weight315.78 g/mol
Exact Mass315.09
IUPAC Name4-[2-(3-chloropropyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(CCCCl)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C17H15ClFN3/c18-9-1-2-15-21-16(12-3-5-14(19)6-4-12)17(22-15)13-7-10-20-11-8-13/h3-8,10-11H,1-2,9H2,(H,21,22)
InChIKeyRIEOVHLTJLAOOM-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloropropyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-(3-chloropropyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine (CID 15429031) is 4-[2-(3-chloropropyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-(3-chloropropyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-(3-chloropropyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine is Fc1ccc(-c2nc(CCCCl)[nH]c2-c2ccncc2)cc1.
What is the InChIKey of 4-[2-(3-chloropropyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is RIEOVHLTJLAOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3/c18-9-1-2-15-21-16(12-3-5-14(19)6-4-12)17(22-15)13-7-10-20-11-8-13/h3-8,10-11H,1-2,9H2,(H,21,22).
What are the key properties of 4-[2-(3-chloropropyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
4-[2-(3-chloropropyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 315.78 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloropropyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 15429031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).