1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(3-methylbut-2-enylidene)imidazole

C32H44N2 — CID 46189436

About 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(3-methylbut-2-enylidene)imidazole

1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(3-methylbut-2-enylidene)imidazole (PubChem CID 46189436) has the molecular formula C32H44N2 and a molecular weight of 456.72 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(3-methylbut-2-enylidene)imidazole.

Molecular Properties

• Compound Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(3-methylbut-2-enylidene)imidazole
• PubChem CID: 46189436
• Molecular Formula: C32H44N2
• Molecular Weight: 456.72 g/mol
• Exact Mass: 456.35
• IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(3-methylbut-2-enylidene)imidazole
• SMILES: CC(C)=CC=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C
• InChI: InChI=1S/C32H44N2/c1-21(2)17-18-30-33(31-26(22(3)4)13-11-14-27(31)23(5)6)19-20-34(30)32-28(24(7)8)15-12-16-29(32)25(9)10/h11-20,22-25H,1-10H3
• InChIKey: GRSQOQDONNDLQE-UHFFFAOYSA-N
• XLogP: 9.79
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.72
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(3-methylbut-2-enylidene)imidazole?

The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(3-methylbut-2-enylidene)imidazole (CID 46189436) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(3-methylbut-2-enylidene)imidazole.

What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(3-methylbut-2-enylidene)imidazole?

The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(3-methylbut-2-enylidene)imidazole is CC(C)=CC=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C.

What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(3-methylbut-2-enylidene)imidazole?

The InChIKey is GRSQOQDONNDLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N2/c1-21(2)17-18-30-33(31-26(22(3)4)13-11-14-27(31)23(5)6)19-20-34(30)32-28(24(7)8)15-12-16-29(32)25(9)10/h11-20,22-25H,1-10H3.

What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(3-methylbut-2-enylidene)imidazole?

1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(3-methylbut-2-enylidene)imidazole has a molecular weight of 456.72 g/mol, XLogP of 9.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(3-methylbut-2-enylidene)imidazole is sourced from PubChem (CID 46189436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).