2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine

C18H21FN4+2 — CID 7015438

IUPAC2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nc3ccccn3c2C[NH+]2CC[NH2+]CC2)cc1
InChIInChI=1S/C18H19FN4/c19-15-6-4-14(5-7-15)18-16(13-22-11-8-20-9-12-22)23-10-2-1-3-17(23)21-18/h1-7,10,20H,8-9,11-13H2/p+2
InChIKeyDBYOYTWKUOOPLX-UHFFFAOYSA-P
MW312.39 g/mol
LogP0.10
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine

2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 7015438) has the molecular formula C18H21FN4+2 and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID7015438
Molecular FormulaC18H21FN4+2
Molecular Weight312.39 g/mol
Exact Mass312.17
IUPAC Name2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nc3ccccn3c2C[NH+]2CC[NH2+]CC2)cc1
InChIInChI=1S/C18H19FN4/c19-15-6-4-14(5-7-15)18-16(13-22-11-8-20-9-12-22)23-10-2-1-3-17(23)21-18/h1-7,10,20H,8-9,11-13H2/p+2
InChIKeyDBYOYTWKUOOPLX-UHFFFAOYSA-P
XLogP0.10
TPSA38.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine (CID 7015438) is 2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine is Fc1ccc(-c2nc3ccccn3c2C[NH+]2CC[NH2+]CC2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is DBYOYTWKUOOPLX-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H19FN4/c19-15-6-4-14(5-7-15)18-16(13-22-11-8-20-9-12-22)23-10-2-1-3-17(23)21-18/h1-7,10,20H,8-9,11-13H2/p+2.
What are the key properties of 2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 312.39 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 7015438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).