2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine

C19H22N4 — CID 2760437

IUPAC2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccccn3c2CN2CCNCC2)cc1
InChIInChI=1S/C19H22N4/c1-15-5-7-16(8-6-15)19-17(14-22-12-9-20-10-13-22)23-11-3-2-4-18(23)21-19/h2-8,11,20H,9-10,12-14H2,1H3
InChIKeyVPRTWGQOAYNEBH-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.71
Rot. Bonds3

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

2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 2760437) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID2760437
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccccn3c2CN2CCNCC2)cc1
InChIInChI=1S/C19H22N4/c1-15-5-7-16(8-6-15)19-17(14-22-12-9-20-10-13-22)23-11-3-2-4-18(23)21-19/h2-8,11,20H,9-10,12-14H2,1H3
InChIKeyVPRTWGQOAYNEBH-UHFFFAOYSA-N
XLogP2.71
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 155082855
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
3-(1,4-diazepan-1-ylmethyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 66555929
2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2758460
2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183047
4-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde
CID 155015642
2-(3-methoxyphenyl)-6-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2759685
4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane
CID 145325362
6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2757048
1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759661
2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile
CID 170886315
3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
CID 134203713

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine (CID 2760437) is 2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine is Cc1ccc(-c2nc3ccccn3c2CN2CCNCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is VPRTWGQOAYNEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-15-5-7-16(8-6-15)19-17(14-22-12-9-20-10-13-22)23-11-3-2-4-18(23)21-19/h2-8,11,20H,9-10,12-14H2,1H3.
What are the key properties of 2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 306.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 2760437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).