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

C21H30N2 — CID 123305352

IUPAC1-(2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
SMILESC=C1CC(C)=CC(C)=C1N1CCN(C2=C(C)C=C(C)CC2C)C1
InChIInChI=1S/C21H30N2/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6/h10-11,19H,3,7-9,12-13H2,1-2,4-6H3
InChIKeyCKOBQXJMXRSWOB-UHFFFAOYSA-N
MW310.49 g/mol
LogP5.00
Rot. Bonds2

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

1-(2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine (PubChem CID 123305352) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 1-(2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine.

Molecular Properties

Compound Name1-(2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
PubChem CID123305352
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name1-(2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
SMILESC=C1CC(C)=CC(C)=C1N1CCN(C2=C(C)C=C(C)CC2C)C1
InChIInChI=1S/C21H30N2/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6/h10-11,19H,3,7-9,12-13H2,1-2,4-6H3
InChIKeyCKOBQXJMXRSWOB-UHFFFAOYSA-N
XLogP5.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.49
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The IUPAC name of 1-(2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine (CID 123305352) is 1-(2,4-dimethyl-6-methylidenecyclohexa-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-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The canonical SMILES for 1-(2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine is C=C1CC(C)=CC(C)=C1N1CCN(C2=C(C)C=C(C)CC2C)C1.
What is the InChIKey of 1-(2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The InChIKey is CKOBQXJMXRSWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6/h10-11,19H,3,7-9,12-13H2,1-2,4-6H3.
What are the key properties of 1-(2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
1-(2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine has a molecular weight of 310.49 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine is sourced from PubChem (CID 123305352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).