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

C18H21ClN4+2 — CID 7015422

IUPAC2-(4-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESClc1ccc(-c2nc3ccccn3c2C[NH+]2CC[NH2+]CC2)cc1
InChIInChI=1S/C18H19ClN4/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
InChIKeyUCSCLSUPNLQVQO-UHFFFAOYSA-P
MW328.85 g/mol
LogP0.62
Rot. Bonds3

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

2-(4-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 7015422) has the molecular formula C18H21ClN4+2 and a molecular weight of 328.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID7015422
Molecular FormulaC18H21ClN4+2
Molecular Weight328.85 g/mol
Exact Mass328.14
IUPAC Name2-(4-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESClc1ccc(-c2nc3ccccn3c2C[NH+]2CC[NH2+]CC2)cc1
InChIInChI=1S/C18H19ClN4/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
InChIKeyUCSCLSUPNLQVQO-UHFFFAOYSA-P
XLogP0.62
TPSA38.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7015438
6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023756
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
6-chloro-2-(4-nitrophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023754
6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023752
4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
CID 70025253
2-(4-chlorophenyl)-3-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazo[1,2-a]pyridine
CID 134203616
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
(2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
CID 15455971
2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine
CID 67028634
3-(4-bromophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
CID 155255091
2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine
CID 134203654

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine (CID 7015422) is 2-(4-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine is Clc1ccc(-c2nc3ccccn3c2C[NH+]2CC[NH2+]CC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is UCSCLSUPNLQVQO-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H19ClN4/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-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
2-(4-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 328.85 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 7015422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).