3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine

C37H37N5 — CID 71180834

IUPAC3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine
SMILESCc1cc(C)c(N(c2nc3c4ccccc4c(C)c(C)n3c2C)c2nc3c4ccccc4c(C)c(C)n3c2C)c(C)c1
InChIInChI=1S/C37H37N5/c1-20-18-21(2)33(22(3)19-20)42(34-27(8)40-25(6)23(4)29-14-10-12-16-31(29)36(40)38-34)35-28(9)41-26(7)24(5)30-15-11-13-17-32(30)37(41)39-35/h10-19H,1-9H3
InChIKeyYTGDLCHCSPNKPA-UHFFFAOYSA-N
MW551.74 g/mol
LogP9.53
Rot. Bonds3

About 3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine

3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine (PubChem CID 71180834) has the molecular formula C37H37N5 and a molecular weight of 551.74 g/mol. Its IUPAC name is 3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine.

Molecular Properties

Compound Name3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine
PubChem CID71180834
Molecular FormulaC37H37N5
Molecular Weight551.74 g/mol
Exact Mass551.30
IUPAC Name3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine
SMILESCc1cc(C)c(N(c2nc3c4ccccc4c(C)c(C)n3c2C)c2nc3c4ccccc4c(C)c(C)n3c2C)c(C)c1
InChIInChI=1S/C37H37N5/c1-20-18-21(2)33(22(3)19-20)42(34-27(8)40-25(6)23(4)29-14-10-12-16-31(29)36(40)38-34)35-28(9)41-26(7)24(5)30-15-11-13-17-32(30)37(41)39-35/h10-19H,1-9H3
InChIKeyYTGDLCHCSPNKPA-UHFFFAOYSA-N
XLogP9.53
TPSA37.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.74
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine?
The IUPAC name of 3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine (CID 71180834) is 3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine.
What is the SMILES notation for 3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine?
The canonical SMILES for 3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine is Cc1cc(C)c(N(c2nc3c4ccccc4c(C)c(C)n3c2C)c2nc3c4ccccc4c(C)c(C)n3c2C)c(C)c1.
What is the InChIKey of 3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine?
The InChIKey is YTGDLCHCSPNKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N5/c1-20-18-21(2)33(22(3)19-20)42(34-27(8)40-25(6)23(4)29-14-10-12-16-31(29)36(40)38-34)35-28(9)41-26(7)24(5)30-15-11-13-17-32(30)37(41)39-35/h10-19H,1-9H3.
What are the key properties of 3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine?
3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine has a molecular weight of 551.74 g/mol, XLogP of 9.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-N-(3,5,6-trimethylimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine is sourced from PubChem (CID 71180834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).