3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine

C₁₂H₁₉N₅ — CID 66131321

About 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine

3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine (PubChem CID 66131321) has the molecular formula C₁₂H₁₉N₅ and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine.

Molecular Properties

• Compound Name: 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine
• PubChem CID: 66131321
• Molecular Formula: C₁₂H₁₉N₅
• Molecular Weight: 233.32 g/mol
• Exact Mass: 233.16
• IUPAC Name: 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine
• SMILES: CCn1c(C)nc(-c2cncn2C(C)C)c1N
• InChI: InChI=1S/C12H19N5/c1-5-16-9(4)15-11(12(16)13)10-6-14-7-17(10)8(2)3/h6-8H,5,13H2,1-4H3
• InChIKey: UBKWPCZYRRXWIE-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 61.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.32
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine?

The IUPAC name of 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine (CID 66131321) is 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine.

What is the SMILES notation for 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine?

The canonical SMILES for 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine is CCn1c(C)nc(-c2cncn2C(C)C)c1N.

What is the InChIKey of 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine?

The InChIKey is UBKWPCZYRRXWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-5-16-9(4)15-11(12(16)13)10-6-14-7-17(10)8(2)3/h6-8H,5,13H2,1-4H3.

What are the key properties of 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine?

3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine has a molecular weight of 233.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine is sourced from PubChem (CID 66131321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66131321 — identifiers, structure, computed properties (public domain)

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