1-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]imidazolidine

C22H34N2 — CID 118533075

IUPAC1-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]imidazolidine
SMILESCC1=CC(C)CCC(C)=C1N1CCN(C2=C(C)C[C@H](C)C=C2C)C1
InChIInChI=1S/C22H34N2/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/h11-12,15-16H,7-10,13-14H2,1-6H3/t15?,16-/m1/s1
InChIKeyDZVZHQZNYXUJJY-OEMAIJDKSA-N
MW326.53 g/mol
LogP5.47
Rot. Bonds2

About 1-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]imidazolidine

1-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]imidazolidine (PubChem CID 118533075) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 1-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]imidazolidine.

Molecular Properties

Compound Name1-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]imidazolidine
PubChem CID118533075
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name1-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]imidazolidine
SMILESCC1=CC(C)CCC(C)=C1N1CCN(C2=C(C)C[C@H](C)C=C2C)C1
InChIInChI=1S/C22H34N2/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/h11-12,15-16H,7-10,13-14H2,1-6H3/t15?,16-/m1/s1
InChIKeyDZVZHQZNYXUJJY-OEMAIJDKSA-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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Related Compounds

1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 88949326
1,3-bis[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]imidazolidine
CID 89476074
1,3-bis[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine
CID 89476077
1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-2-methyl-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 90077035
1,2,2-Trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine
CID 91415324
1-(2-Methylcyclohexa-1,5-dien-1-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)imidazolidine
CID 117710236
1-[2-Methyl-3,5-di(propan-2-yl)hepta-1,3,5-trien-4-yl]-3-(2-methyl-3-methylidene-5-propan-2-ylnona-4,6-dien-4-yl)imidazolidine
CID 123210654
1-[2,6-Di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 123292874
1-(2,4-Dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 123305352
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
1-(4-Ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 123348737
1-(2,4,6,6-Tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 123355451

Frequently Asked Questions

What is the IUPAC name of 1-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]imidazolidine?
The IUPAC name of 1-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]imidazolidine (CID 118533075) is 1-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]imidazolidine.
What is the SMILES notation for 1-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]imidazolidine?
The canonical SMILES for 1-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]imidazolidine is CC1=CC(C)CCC(C)=C1N1CCN(C2=C(C)C[C@H](C)C=C2C)C1.
What is the InChIKey of 1-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]imidazolidine?
The InChIKey is DZVZHQZNYXUJJY-OEMAIJDKSA-N. The full InChI is InChI=1S/C22H34N2/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/h11-12,15-16H,7-10,13-14H2,1-6H3/t15?,16-/m1/s1.
What are the key properties of 1-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]imidazolidine?
1-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-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-(2,5,7-trimethylcyclohepta-1,6-dien-1-yl)-3-[(4S)-2,4,6-trimethylcyclohexa-1,5-dien-1-yl]imidazolidine is sourced from PubChem (CID 118533075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).