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

C22H34N2 — CID 123355451

IUPAC1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
SMILESCC1=CC(C)=C(N2CCN(C3=C(C)C=C(C)CC3(C)C)C2)C(C)C1
InChIInChI=1S/C22H34N2/c1-15-10-17(3)20(18(4)11-15)23-8-9-24(14-23)21-19(5)12-16(2)13-22(21,6)7/h10,12,18H,8-9,11,13-14H2,1-7H3
InChIKeyFBLLAUIPDSHAEH-UHFFFAOYSA-N
MW326.53 g/mol
LogP5.47
Rot. Bonds2

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

1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine (PubChem CID 123355451) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine.

Molecular Properties

Compound Name1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
PubChem CID123355451
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
SMILESCC1=CC(C)=C(N2CCN(C3=C(C)C=C(C)CC3(C)C)C2)C(C)C1
InChIInChI=1S/C22H34N2/c1-15-10-17(3)20(18(4)11-15)23-8-9-24(14-23)21-19(5)12-16(2)13-22(21,6)7/h10,12,18H,8-9,11,13-14H2,1-7H3
InChIKeyFBLLAUIPDSHAEH-UHFFFAOYSA-N
XLogP5.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The IUPAC name of 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine (CID 123355451) is 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine.
What is the SMILES notation for 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The canonical SMILES for 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine is CC1=CC(C)=C(N2CCN(C3=C(C)C=C(C)CC3(C)C)C2)C(C)C1.
What is the InChIKey of 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The InChIKey is FBLLAUIPDSHAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2/c1-15-10-17(3)20(18(4)11-15)23-8-9-24(14-23)21-19(5)12-16(2)13-22(21,6)7/h10,12,18H,8-9,11,13-14H2,1-7H3.
What are the key properties of 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
1-(2,4,6,6-tetramethylcyclohexa-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, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine is sourced from PubChem (CID 123355451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).