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

C20H26N4+2 — CID 7023752

IUPAC6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccc(C)cn3c2C[NH+]2CC[NH2+]CC2)cc1
InChIInChI=1S/C20H24N4/c1-15-3-6-17(7-4-15)20-18(14-23-11-9-21-10-12-23)24-13-16(2)5-8-19(24)22-20/h3-8,13,21H,9-12,14H2,1-2H3/p+2
InChIKeyLXXBXSZDZHUDEI-UHFFFAOYSA-P
MW322.46 g/mol
LogP0.58
Rot. Bonds3

About 6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine

6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 7023752) has the molecular formula C20H26N4+2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID7023752
Molecular FormulaC20H26N4+2
Molecular Weight322.46 g/mol
Exact Mass322.21
IUPAC Name6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccc(C)cn3c2C[NH+]2CC[NH2+]CC2)cc1
InChIInChI=1S/C20H24N4/c1-15-3-6-17(7-4-15)20-18(14-23-11-9-21-10-12-23)24-13-16(2)5-8-19(24)22-20/h3-8,13,21H,9-12,14H2,1-2H3/p+2
InChIKeyLXXBXSZDZHUDEI-UHFFFAOYSA-P
XLogP0.58
TPSA38.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023756
6-chloro-2-(4-nitrophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023754
2-(4-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7015422
2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7015438
N-methyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 70326815
3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
CID 162000002
3-butyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 143046958
[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 39125896
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
CID 74889750
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261
3-(chloromethyl)-2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridine;hydrochloride
CID 67028789
3-(imidazol-1-ylmethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 58337071

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine (CID 7023752) is 6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine is Cc1ccc(-c2nc3ccc(C)cn3c2C[NH+]2CC[NH2+]CC2)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is LXXBXSZDZHUDEI-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H24N4/c1-15-3-6-17(7-4-15)20-18(14-23-11-9-21-10-12-23)24-13-16(2)5-8-19(24)22-20/h3-8,13,21H,9-12,14H2,1-2H3/p+2.
What are the key properties of 6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 322.46 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 7023752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).