2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine

C21H26N4 — CID 39146345

IUPAC2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3cccc(C)n3c2CN2CCNCC2)cc1C
InChIInChI=1S/C21H26N4/c1-15-7-8-18(13-16(15)2)21-19(14-24-11-9-22-10-12-24)25-17(3)5-4-6-20(25)23-21/h4-8,13,22H,9-12,14H2,1-3H3
InChIKeyMYWRNEMRQQEPOH-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.33
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine

2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 39146345) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID39146345
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3cccc(C)n3c2CN2CCNCC2)cc1C
InChIInChI=1S/C21H26N4/c1-15-7-8-18(13-16(15)2)21-19(14-24-11-9-22-10-12-24)25-17(3)5-4-6-20(25)23-21/h4-8,13,22H,9-12,14H2,1-3H3
InChIKeyMYWRNEMRQQEPOH-UHFFFAOYSA-N
XLogP3.33
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine (CID 39146345) is 2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine is Cc1ccc(-c2nc3cccc(C)n3c2CN2CCNCC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is MYWRNEMRQQEPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-15-7-8-18(13-16(15)2)21-19(14-24-11-9-22-10-12-24)25-17(3)5-4-6-20(25)23-21/h4-8,13,22H,9-12,14H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 334.47 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 39146345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).