Benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane

C₂₅H₄₄N₄ — CID 159409426

About Benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane

Benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane (PubChem CID 159409426) has the molecular formula C₂₅H₄₄N₄ and a molecular weight of 400.66 g/mol. Its IUPAC name is benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane.

Molecular Properties

• Compound Name: Benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane
• PubChem CID: 159409426
• Molecular Formula: C₂₅H₄₄N₄
• Molecular Weight: 400.66 g/mol
• Exact Mass: 400.36
• IUPAC Name: benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane
• SMILES: CC.CC.CC.CC.CCc1nc(-c2ccncn2)c(CC)[nH]1.c1ccccc1
• InChI: InChI=1S/C11H14N4.C6H6.4C2H6/c1-3-8-11(15-10(4-2)14-8)9-5-6-12-7-13-9;1-2-4-6-5-3-1;4*1-2/h5-7H,3-4H2,1-2H3,(H,14,15);1-6H;4*1-2H3
• InChIKey: LOJPSNDZNGMYQW-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.66
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane?

The IUPAC name of Benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane (CID 159409426) is benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane.

What is the SMILES notation for Benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane?

The canonical SMILES for Benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane is CC.CC.CC.CC.CCc1nc(-c2ccncn2)c(CC)[nH]1.c1ccccc1.

What is the InChIKey of Benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane?

The InChIKey is LOJPSNDZNGMYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.C6H6.4C2H6/c1-3-8-11(15-10(4-2)14-8)9-5-6-12-7-13-9;1-2-4-6-5-3-1;4*1-2/h5-7H,3-4H2,1-2H3,(H,14,15);1-6H;4*1-2H3.

What are the key properties of Benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane?

Benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane has a molecular weight of 400.66 g/mol, XLogP of 7.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Benzene;4-(2,5-diethyl-1H-imidazol-4-yl)pyrimidine;ethane is sourced from PubChem (CID 159409426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159409426 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.