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

C22H15ClN2S — CID 51360027

IUPAC2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
SMILESClc1cccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)c1
InChIInChI=1S/C22H15ClN2S/c23-18-6-3-5-17(13-18)21-20(12-15-9-11-26-14-15)25-10-8-16-4-1-2-7-19(16)22(25)24-21/h1-11,13-14H,12H2
InChIKeyLWTYTULBUUBCIW-UHFFFAOYSA-N
MW374.90 g/mol
LogP6.46
Rot. Bonds3

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

2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline (PubChem CID 51360027) has the molecular formula C22H15ClN2S and a molecular weight of 374.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
PubChem CID51360027
Molecular FormulaC22H15ClN2S
Molecular Weight374.90 g/mol
Exact Mass374.06
IUPAC Name2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
SMILESClc1cccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)c1
InChIInChI=1S/C22H15ClN2S/c23-18-6-3-5-17(13-18)21-20(12-15-9-11-26-14-15)25-10-8-16-4-1-2-7-19(16)22(25)24-21/h1-11,13-14H,12H2
InChIKeyLWTYTULBUUBCIW-UHFFFAOYSA-N
XLogP6.46
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.90
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline?
The IUPAC name of 2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline (CID 51360027) is 2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline is Clc1cccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline?
The InChIKey is LWTYTULBUUBCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2S/c23-18-6-3-5-17(13-18)21-20(12-15-9-11-26-14-15)25-10-8-16-4-1-2-7-19(16)22(25)24-21/h1-11,13-14H,12H2.
What are the key properties of 2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline?
2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline has a molecular weight of 374.90 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51360027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).