1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine

C24H38N2 — CID 123292874

About 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine

1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine (PubChem CID 123292874) has the molecular formula C24H38N2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine.

Molecular Properties

• Compound Name: 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine
• PubChem CID: 123292874
• Molecular Formula: C24H38N2
• Molecular Weight: 354.58 g/mol
• Exact Mass: 354.30
• IUPAC Name: 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine
• SMILES: CC(C)C1=C(N2CCN(C3=CC=CCC3C(C)C)C2)C(C(C)C)CC=C1
• InChI: InChI=1S/C24H38N2/c1-17(2)20-10-7-8-13-23(20)25-14-15-26(16-25)24-21(18(3)4)11-9-12-22(24)19(5)6/h7-9,11,13,17-20,22H,10,12,14-16H2,1-6H3
• InChIKey: ROAIKXUGKCSRTM-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	354.58
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine?

The IUPAC name of 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) is 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine.

What is the SMILES notation for 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine?

The canonical SMILES for 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine is CC(C)C1=C(N2CCN(C3=CC=CCC3C(C)C)C2)C(C(C)C)CC=C1.

What is the InChIKey of 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine?

The InChIKey is ROAIKXUGKCSRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2/c1-17(2)20-10-7-8-13-23(20)25-14-15-26(16-25)24-21(18(3)4)11-9-12-22(24)19(5)6/h7-9,11,13,17-20,22H,10,12,14-16H2,1-6H3.

What are the key properties of 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine?

1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine has a molecular weight of 354.58 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine is sourced from PubChem (CID 123292874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).