1-[(6S)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]-3-[(6R)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine

C23H36N2 — CID 160509336

About 1-[(6S)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]-3-[(6R)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine

1-[(6S)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]-3-[(6R)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine (PubChem CID 160509336) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is 1-[(6S)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]-3-[(6R)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine.

Molecular Properties

• Compound Name: 1-[(6S)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]-3-[(6R)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine
• PubChem CID: 160509336
• Molecular Formula: C23H36N2
• Molecular Weight: 340.56 g/mol
• Exact Mass: 340.29
• IUPAC Name: 1-[(6S)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]-3-[(6R)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine
• SMILES: CC(C)C1=C(N2CCN(C3=C(C(C)C)C=CC[C@@H]3C)C2)[C@H](C)CC=C1
• InChI: InChI=1S/C23H36N2/c1-16(2)20-11-7-9-18(5)22(20)24-13-14-25(15-24)23-19(6)10-8-12-21(23)17(3)4/h7-8,11-12,16-19H,9-10,13-15H2,1-6H3/t18-,19+
• InChIKey: CMCSRKMMJDQYKU-KDURUIRLSA-N
• XLogP: 5.57
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	340.56
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 1-[(6S)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]-3-[(6R)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine (CID 160509336) is 1-[(6S)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]-3-[(6R)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine.

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

The canonical SMILES for 1-[(6S)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]-3-[(6R)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine is CC(C)C1=C(N2CCN(C3=C(C(C)C)C=CC[C@@H]3C)C2)[C@H](C)CC=C1.

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

The InChIKey is CMCSRKMMJDQYKU-KDURUIRLSA-N. The full InChI is InChI=1S/C23H36N2/c1-16(2)20-11-7-9-18(5)22(20)24-13-14-25(15-24)23-19(6)10-8-12-21(23)17(3)4/h7-8,11-12,16-19H,9-10,13-15H2,1-6H3/t18-,19+.

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

1-[(6S)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]-3-[(6R)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine has a molecular weight of 340.56 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6S)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]-3-[(6R)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine is sourced from PubChem (CID 160509336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).