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

C24H16Cl2N2 — CID 53299522

IUPAC2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESClc1cccc(Cc2c(-c3cccc(Cl)c3)nc3c4ccccc4ccn23)c1
InChIInChI=1S/C24H16Cl2N2/c25-19-8-3-5-16(13-19)14-22-23(18-7-4-9-20(26)15-18)27-24-21-10-2-1-6-17(21)11-12-28(22)24/h1-13,15H,14H2
InChIKeyBGKZKEZSTAXBPG-UHFFFAOYSA-N
MW403.31 g/mol
LogP7.05
Rot. Bonds3

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

2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[2,1-a]isoquinoline (PubChem CID 53299522) has the molecular formula C24H16Cl2N2 and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[2,1-a]isoquinoline
PubChem CID53299522
Molecular FormulaC24H16Cl2N2
Molecular Weight403.31 g/mol
Exact Mass402.07
IUPAC Name2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESClc1cccc(Cc2c(-c3cccc(Cl)c3)nc3c4ccccc4ccn23)c1
InChIInChI=1S/C24H16Cl2N2/c25-19-8-3-5-16(13-19)14-22-23(18-7-4-9-20(26)15-18)27-24-21-10-2-1-6-17(21)11-12-28(22)24/h1-13,15H,14H2
InChIKeyBGKZKEZSTAXBPG-UHFFFAOYSA-N
XLogP7.05
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.31
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[2,1-a]isoquinoline?
The IUPAC name of 2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[2,1-a]isoquinoline (CID 53299522) is 2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[2,1-a]isoquinoline is Clc1cccc(Cc2c(-c3cccc(Cl)c3)nc3c4ccccc4ccn23)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[2,1-a]isoquinoline?
The InChIKey is BGKZKEZSTAXBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N2/c25-19-8-3-5-16(13-19)14-22-23(18-7-4-9-20(26)15-18)27-24-21-10-2-1-6-17(21)11-12-28(22)24/h1-13,15H,14H2.
What are the key properties of 2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[2,1-a]isoquinoline?
2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[2,1-a]isoquinoline has a molecular weight of 403.31 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 53299522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).