1-(2,4,5,6-tetramethylcyclohexa-1,5-dien-1-yl)-3-(2,5,7-trimethylocta-1,4,6-trien-3-yl)imidazolidine

C24H38N2 — CID 123318542

IUPAC1-(2,4,5,6-tetramethylcyclohexa-1,5-dien-1-yl)-3-(2,5,7-trimethylocta-1,4,6-trien-3-yl)imidazolidine
SMILESC=C(C)C(C=C(C)C=C(C)C)N1CCN(C2=C(C)CC(C)C(C)=C2C)C1
InChIInChI=1S/C24H38N2/c1-16(2)12-18(5)13-23(17(3)4)25-10-11-26(15-25)24-20(7)14-19(6)21(8)22(24)9/h12-13,19,23H,3,10-11,14-15H2,1-2,4-9H3
InChIKeyDNBTUJRMJPRLFZ-UHFFFAOYSA-N
MW354.58 g/mol
LogP6.07
Rot. Bonds5

About 1-(2,4,5,6-tetramethylcyclohexa-1,5-dien-1-yl)-3-(2,5,7-trimethylocta-1,4,6-trien-3-yl)imidazolidine

1-(2,4,5,6-tetramethylcyclohexa-1,5-dien-1-yl)-3-(2,5,7-trimethylocta-1,4,6-trien-3-yl)imidazolidine (PubChem CID 123318542) has the molecular formula C24H38N2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-(2,4,5,6-tetramethylcyclohexa-1,5-dien-1-yl)-3-(2,5,7-trimethylocta-1,4,6-trien-3-yl)imidazolidine.

Molecular Properties

Compound Name1-(2,4,5,6-tetramethylcyclohexa-1,5-dien-1-yl)-3-(2,5,7-trimethylocta-1,4,6-trien-3-yl)imidazolidine
PubChem CID123318542
Molecular FormulaC24H38N2
Molecular Weight354.58 g/mol
Exact Mass354.30
IUPAC Name1-(2,4,5,6-tetramethylcyclohexa-1,5-dien-1-yl)-3-(2,5,7-trimethylocta-1,4,6-trien-3-yl)imidazolidine
SMILESC=C(C)C(C=C(C)C=C(C)C)N1CCN(C2=C(C)CC(C)C(C)=C2C)C1
InChIInChI=1S/C24H38N2/c1-16(2)12-18(5)13-23(17(3)4)25-10-11-26(15-25)24-20(7)14-19(6)21(8)22(24)9/h12-13,19,23H,3,10-11,14-15H2,1-2,4-9H3
InChIKeyDNBTUJRMJPRLFZ-UHFFFAOYSA-N
XLogP6.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5,6-tetramethylcyclohexa-1,5-dien-1-yl)-3-(2,5,7-trimethylocta-1,4,6-trien-3-yl)imidazolidine?
The IUPAC name of 1-(2,4,5,6-tetramethylcyclohexa-1,5-dien-1-yl)-3-(2,5,7-trimethylocta-1,4,6-trien-3-yl)imidazolidine (CID 123318542) is 1-(2,4,5,6-tetramethylcyclohexa-1,5-dien-1-yl)-3-(2,5,7-trimethylocta-1,4,6-trien-3-yl)imidazolidine.
What is the SMILES notation for 1-(2,4,5,6-tetramethylcyclohexa-1,5-dien-1-yl)-3-(2,5,7-trimethylocta-1,4,6-trien-3-yl)imidazolidine?
The canonical SMILES for 1-(2,4,5,6-tetramethylcyclohexa-1,5-dien-1-yl)-3-(2,5,7-trimethylocta-1,4,6-trien-3-yl)imidazolidine is C=C(C)C(C=C(C)C=C(C)C)N1CCN(C2=C(C)CC(C)C(C)=C2C)C1.
What is the InChIKey of 1-(2,4,5,6-tetramethylcyclohexa-1,5-dien-1-yl)-3-(2,5,7-trimethylocta-1,4,6-trien-3-yl)imidazolidine?
The InChIKey is DNBTUJRMJPRLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2/c1-16(2)12-18(5)13-23(17(3)4)25-10-11-26(15-25)24-20(7)14-19(6)21(8)22(24)9/h12-13,19,23H,3,10-11,14-15H2,1-2,4-9H3.
What are the key properties of 1-(2,4,5,6-tetramethylcyclohexa-1,5-dien-1-yl)-3-(2,5,7-trimethylocta-1,4,6-trien-3-yl)imidazolidine?
1-(2,4,5,6-tetramethylcyclohexa-1,5-dien-1-yl)-3-(2,5,7-trimethylocta-1,4,6-trien-3-yl)imidazolidine has a molecular weight of 354.58 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5,6-tetramethylcyclohexa-1,5-dien-1-yl)-3-(2,5,7-trimethylocta-1,4,6-trien-3-yl)imidazolidine is sourced from PubChem (CID 123318542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).