2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline

C24H25N3 — CID 3615651

IUPAC2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline
SMILESCc1ccc(-c2nc3c4ccccc4ccn3c2CN2CCCCC2)cc1
InChIInChI=1S/C24H25N3/c1-18-9-11-20(12-10-18)23-22(17-26-14-5-2-6-15-26)27-16-13-19-7-3-4-8-21(19)24(27)25-23/h3-4,7-13,16H,2,5-6,14-15,17H2,1H3
InChIKeyQZVYGFRODQIGNJ-UHFFFAOYSA-N
MW355.49 g/mol
LogP5.45
Rot. Bonds3

About 2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline

2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline (PubChem CID 3615651) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline
PubChem CID3615651
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC Name2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline
SMILESCc1ccc(-c2nc3c4ccccc4ccn3c2CN2CCCCC2)cc1
InChIInChI=1S/C24H25N3/c1-18-9-11-20(12-10-18)23-22(17-26-14-5-2-6-15-26)27-16-13-19-7-3-4-8-21(19)24(27)25-23/h3-4,7-13,16H,2,5-6,14-15,17H2,1H3
InChIKeyQZVYGFRODQIGNJ-UHFFFAOYSA-N
XLogP5.45
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline?
The IUPAC name of 2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline (CID 3615651) is 2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline is Cc1ccc(-c2nc3c4ccccc4ccn3c2CN2CCCCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline?
The InChIKey is QZVYGFRODQIGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-18-9-11-20(12-10-18)23-22(17-26-14-5-2-6-15-26)27-16-13-19-7-3-4-8-21(19)24(27)25-23/h3-4,7-13,16H,2,5-6,14-15,17H2,1H3.
What are the key properties of 2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline?
2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline has a molecular weight of 355.49 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 3615651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).