5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline

C36H34N4 — CID 58517561

IUPAC5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline
SMILESCC(C)(C)c1cc2ccccc2c2nc(-c3ccccc3-c3cn4c(C(C)(C)C)cc5ccccc5c4n3)cn12
InChIInChI=1S/C36H34N4/c1-35(2,3)31-19-23-13-7-9-15-25(23)33-37-29(21-39(31)33)27-17-11-12-18-28(27)30-22-40-32(36(4,5)6)20-24-14-8-10-16-26(24)34(40)38-30/h7-22H,1-6H3
InChIKeyZLMAMBLOVLEASC-UHFFFAOYSA-N
MW522.70 g/mol
LogP9.22
Rot. Bonds2

About 5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline

5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline (PubChem CID 58517561) has the molecular formula C36H34N4 and a molecular weight of 522.70 g/mol. Its IUPAC name is 5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline
PubChem CID58517561
Molecular FormulaC36H34N4
Molecular Weight522.70 g/mol
Exact Mass522.28
IUPAC Name5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline
SMILESCC(C)(C)c1cc2ccccc2c2nc(-c3ccccc3-c3cn4c(C(C)(C)C)cc5ccccc5c4n3)cn12
InChIInChI=1S/C36H34N4/c1-35(2,3)31-19-23-13-7-9-15-25(23)33-37-29(21-39(31)33)27-17-11-12-18-28(27)30-22-40-32(36(4,5)6)20-24-14-8-10-16-26(24)34(40)38-30/h7-22H,1-6H3
InChIKeyZLMAMBLOVLEASC-UHFFFAOYSA-N
XLogP9.22
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.70
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline?
The IUPAC name of 5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline (CID 58517561) is 5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline?
The canonical SMILES for 5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline is CC(C)(C)c1cc2ccccc2c2nc(-c3ccccc3-c3cn4c(C(C)(C)C)cc5ccccc5c4n3)cn12.
What is the InChIKey of 5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline?
The InChIKey is ZLMAMBLOVLEASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4/c1-35(2,3)31-19-23-13-7-9-15-25(23)33-37-29(21-39(31)33)27-17-11-12-18-28(27)30-22-40-32(36(4,5)6)20-24-14-8-10-16-26(24)34(40)38-30/h7-22H,1-6H3.
What are the key properties of 5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline?
5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline has a molecular weight of 522.70 g/mol, XLogP of 9.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 58517561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).