2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine

C20H26N4O+2 — CID 7023701

IUPAC2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESCOc1cccc(-c2nc3c(C)cccn3c2C[NH+]2CC[NH2+]CC2)c1
InChIInChI=1S/C20H24N4O/c1-15-5-4-10-24-18(14-23-11-8-21-9-12-23)19(22-20(15)24)16-6-3-7-17(13-16)25-2/h3-7,10,13,21H,8-9,11-12,14H2,1-2H3/p+2
InChIKeyNLNUKQXFZAMEHW-UHFFFAOYSA-P
MW338.46 g/mol
LogP0.28
Rot. Bonds4

About 2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine

2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 7023701) has the molecular formula C20H26N4O+2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID7023701
Molecular FormulaC20H26N4O+2
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESCOc1cccc(-c2nc3c(C)cccn3c2C[NH+]2CC[NH2+]CC2)c1
InChIInChI=1S/C20H24N4O/c1-15-5-4-10-24-18(14-23-11-8-21-9-12-23)19(22-20(15)24)16-6-3-7-17(13-16)25-2/h3-7,10,13,21H,8-9,11-12,14H2,1-2H3/p+2
InChIKeyNLNUKQXFZAMEHW-UHFFFAOYSA-P
XLogP0.28
TPSA47.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine with MolForge

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Related Compounds

3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126375
6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023756
[2-(3-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-(4-methylphenyl)methanone
CID 122205518
1-[[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate
CID 7016683
1-[2-(2,5-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine
CID 39146199
8-methyl-2-(3-propoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617454
3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126353
8-fluoro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 82529209
6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023752
3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195720
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-methoxy-8-methyl-2-phenylimidazo[1,2-a]pyridine
CID 13211847

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine (CID 7023701) is 2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine is COc1cccc(-c2nc3c(C)cccn3c2C[NH+]2CC[NH2+]CC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is NLNUKQXFZAMEHW-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H24N4O/c1-15-5-4-10-24-18(14-23-11-8-21-9-12-23)19(22-20(15)24)16-6-3-7-17(13-16)25-2/h3-7,10,13,21H,8-9,11-12,14H2,1-2H3/p+2.
What are the key properties of 2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 338.46 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 7023701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).