1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine

C22H30N2 — CID 123547850

IUPAC1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine
SMILESCC1=CCC(C)=C(N2CCN(c3c(C)cc(C)cc3C)C2)C(C)=C1
InChIInChI=1S/C22H30N2/c1-15-7-8-17(3)21(18(4)11-15)23-9-10-24(14-23)22-19(5)12-16(2)13-20(22)6/h7,11-13H,8-10,14H2,1-6H3
InChIKeyDFYWWNWBWIXYNQ-UHFFFAOYSA-N
MW322.50 g/mol
LogP5.26
Rot. Bonds2

About 1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine

1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine (PubChem CID 123547850) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine.

Molecular Properties

Compound Name1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine
PubChem CID123547850
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine
SMILESCC1=CCC(C)=C(N2CCN(c3c(C)cc(C)cc3C)C2)C(C)=C1
InChIInChI=1S/C22H30N2/c1-15-7-8-17(3)21(18(4)11-15)23-9-10-24(14-23)22-19(5)12-16(2)13-20(22)6/h7,11-13H,8-10,14H2,1-6H3
InChIKeyDFYWWNWBWIXYNQ-UHFFFAOYSA-N
XLogP5.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine?
The IUPAC name of 1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine (CID 123547850) is 1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine.
What is the SMILES notation for 1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine?
The canonical SMILES for 1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine is CC1=CCC(C)=C(N2CCN(c3c(C)cc(C)cc3C)C2)C(C)=C1.
What is the InChIKey of 1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine?
The InChIKey is DFYWWNWBWIXYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-15-7-8-17(3)21(18(4)11-15)23-9-10-24(14-23)22-19(5)12-16(2)13-20(22)6/h7,11-13H,8-10,14H2,1-6H3.
What are the key properties of 1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine?
1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine has a molecular weight of 322.50 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine is sourced from PubChem (CID 123547850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).