1-(4-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine

C22H34N2 — CID 123348737

IUPAC1-(4-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
SMILESCCC1=CC(C)=C(N2CCN(C3=C(C)C=C(C)CC3C)C2)C(C)C1
InChIInChI=1S/C22H34N2/c1-7-20-12-18(5)22(19(6)13-20)24-9-8-23(14-24)21-16(3)10-15(2)11-17(21)4/h10,12,17,19H,7-9,11,13-14H2,1-6H3
InChIKeyGIFZQJZEFKRVGM-UHFFFAOYSA-N
MW326.53 g/mol
LogP5.47
Rot. Bonds3

About 1-(4-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine

1-(4-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine (PubChem CID 123348737) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 1-(4-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine.

Molecular Properties

Compound Name1-(4-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
PubChem CID123348737
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name1-(4-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
SMILESCCC1=CC(C)=C(N2CCN(C3=C(C)C=C(C)CC3C)C2)C(C)C1
InChIInChI=1S/C22H34N2/c1-7-20-12-18(5)22(19(6)13-20)24-9-8-23(14-24)21-16(3)10-15(2)11-17(21)4/h10,12,17,19H,7-9,11,13-14H2,1-6H3
InChIKeyGIFZQJZEFKRVGM-UHFFFAOYSA-N
XLogP5.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The IUPAC name of 1-(4-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine (CID 123348737) is 1-(4-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine.
What is the SMILES notation for 1-(4-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The canonical SMILES for 1-(4-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine is CCC1=CC(C)=C(N2CCN(C3=C(C)C=C(C)CC3C)C2)C(C)C1.
What is the InChIKey of 1-(4-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The InChIKey is GIFZQJZEFKRVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2/c1-7-20-12-18(5)22(19(6)13-20)24-9-8-23(14-24)21-16(3)10-15(2)11-17(21)4/h10,12,17,19H,7-9,11,13-14H2,1-6H3.
What are the key properties of 1-(4-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
1-(4-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine has a molecular weight of 326.53 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine is sourced from PubChem (CID 123348737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).