1-[(1R)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]-3-[(1S,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]imidazolidine

C21H34N2 — CID 121275266

IUPAC1-[(1R)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]-3-[(1S,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]imidazolidine
SMILESCC1=CC(C)[C@@H](N2CCN([C@@H]3C(C)=C[C@H](C)CC3C)C2)C(C)=C1
InChIInChI=1S/C21H34N2/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/h9-11,15-16,19-21H,7-8,12-13H2,1-6H3/t15-,16?,19?,20+,21+/m0/s1
InChIKeyKHDOAIDXNDYDRX-HGPCVQCCSA-N
MW314.52 g/mol
LogP4.46
Rot. Bonds2

About 1-[(1R)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]-3-[(1S,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]imidazolidine

1-[(1R)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]-3-[(1S,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]imidazolidine (PubChem CID 121275266) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 1-[(1R)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]-3-[(1S,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]imidazolidine.

Molecular Properties

Compound Name1-[(1R)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]-3-[(1S,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]imidazolidine
PubChem CID121275266
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name1-[(1R)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]-3-[(1S,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]imidazolidine
SMILESCC1=CC(C)[C@@H](N2CCN([C@@H]3C(C)=C[C@H](C)CC3C)C2)C(C)=C1
InChIInChI=1S/C21H34N2/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/h9-11,15-16,19-21H,7-8,12-13H2,1-6H3/t15-,16?,19?,20+,21+/m0/s1
InChIKeyKHDOAIDXNDYDRX-HGPCVQCCSA-N
XLogP4.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]-3-[(1S,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]imidazolidine?
The IUPAC name of 1-[(1R)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]-3-[(1S,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]imidazolidine (CID 121275266) is 1-[(1R)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]-3-[(1S,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]imidazolidine.
What is the SMILES notation for 1-[(1R)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]-3-[(1S,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]imidazolidine?
The canonical SMILES for 1-[(1R)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]-3-[(1S,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]imidazolidine is CC1=CC(C)[C@@H](N2CCN([C@@H]3C(C)=C[C@H](C)CC3C)C2)C(C)=C1.
What is the InChIKey of 1-[(1R)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]-3-[(1S,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]imidazolidine?
The InChIKey is KHDOAIDXNDYDRX-HGPCVQCCSA-N. The full InChI is InChI=1S/C21H34N2/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/h9-11,15-16,19-21H,7-8,12-13H2,1-6H3/t15-,16?,19?,20+,21+/m0/s1.
What are the key properties of 1-[(1R)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]-3-[(1S,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]imidazolidine?
1-[(1R)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]-3-[(1S,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]imidazolidine has a molecular weight of 314.52 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]-3-[(1S,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]imidazolidine is sourced from PubChem (CID 121275266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).