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

C23H18N2S — CID 51359834

IUPAC2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
SMILESCc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)cc1
InChIInChI=1S/C23H18N2S/c1-16-6-8-19(9-7-16)22-21(14-17-11-13-26-15-17)25-12-10-18-4-2-3-5-20(18)23(25)24-22/h2-13,15H,14H2,1H3
InChIKeyASZHBGONSJCMHE-UHFFFAOYSA-N
MW354.48 g/mol
LogP6.12
Rot. Bonds3

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

2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline (PubChem CID 51359834) has the molecular formula C23H18N2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
PubChem CID51359834
Molecular FormulaC23H18N2S
Molecular Weight354.48 g/mol
Exact Mass354.12
IUPAC Name2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
SMILESCc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)cc1
InChIInChI=1S/C23H18N2S/c1-16-6-8-19(9-7-16)22-21(14-17-11-13-26-15-17)25-12-10-18-4-2-3-5-20(18)23(25)24-22/h2-13,15H,14H2,1H3
InChIKeyASZHBGONSJCMHE-UHFFFAOYSA-N
XLogP6.12
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.48
LogP ≤ 56.12
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-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline?
The IUPAC name of 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline (CID 51359834) is 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline is Cc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline?
The InChIKey is ASZHBGONSJCMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2S/c1-16-6-8-19(9-7-16)22-21(14-17-11-13-26-15-17)25-12-10-18-4-2-3-5-20(18)23(25)24-22/h2-13,15H,14H2,1H3.
What are the key properties of 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline?
2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline has a molecular weight of 354.48 g/mol, XLogP of 6.12, 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-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51359834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).