1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole

C29H46N2 — CID 123776308

About 1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole

1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole (PubChem CID 123776308) has the molecular formula C29H46N2 and a molecular weight of 422.70 g/mol. Its IUPAC name is 1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole.

Molecular Properties

• Compound Name: 1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole
• PubChem CID: 123776308
• Molecular Formula: C29H46N2
• Molecular Weight: 422.70 g/mol
• Exact Mass: 422.37
• IUPAC Name: 1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole
• SMILES: CC(C)C1=C(N2C=CN(C3=C(C(C)C)C=CCC3(C)C(C)C)C2)C(C(C)C)C(C)C=C1
• InChI: InChI=1S/C29H46N2/c1-19(2)24-14-13-23(9)26(21(5)6)27(24)30-16-17-31(18-30)28-25(20(3)4)12-11-15-29(28,10)22(7)8/h11-14,16-17,19-23,26H,15,18H2,1-10H3
• InChIKey: XQRVHMAYJQGMBT-UHFFFAOYSA-N
• XLogP: 7.95
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.70
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole?

The IUPAC name of 1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole (CID 123776308) is 1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole.

What is the SMILES notation for 1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole?

The canonical SMILES for 1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole is CC(C)C1=C(N2C=CN(C3=C(C(C)C)C=CCC3(C)C(C)C)C2)C(C(C)C)C(C)C=C1.

What is the InChIKey of 1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole?

The InChIKey is XQRVHMAYJQGMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N2/c1-19(2)24-14-13-23(9)26(21(5)6)27(24)30-16-17-31(18-30)28-25(20(3)4)12-11-15-29(28,10)22(7)8/h11-14,16-17,19-23,26H,15,18H2,1-10H3.

What are the key properties of 1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole?

1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole has a molecular weight of 422.70 g/mol, XLogP of 7.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole is sourced from PubChem (CID 123776308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).