1,3-Dimethylimidazol-2-one;ethane

C₉H₂₀N₂O — CID 54123467

About 1,3-Dimethylimidazol-2-one;ethane

1,3-Dimethylimidazol-2-one;ethane (PubChem CID 54123467) has the molecular formula C₉H₂₀N₂O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,3-dimethylimidazol-2-one;ethane.

Molecular Properties

• Compound Name: 1,3-Dimethylimidazol-2-one;ethane
• PubChem CID: 54123467
• Molecular Formula: C₉H₂₀N₂O
• Molecular Weight: 172.27 g/mol
• Exact Mass: 172.16
• IUPAC Name: 1,3-dimethylimidazol-2-one;ethane
• SMILES: CC.CC.Cn1ccn(C)c1=O
• InChI: InChI=1S/C5H8N2O.2C2H6/c1-6-3-4-7(2)5(6)8;2*1-2/h3-4H,1-2H3;2*1-2H3
• InChIKey: NPIMQJFIOSAKIR-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 26.93 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	172.27
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,3-Dimethylimidazol-2-one;ethane?

The IUPAC name of 1,3-Dimethylimidazol-2-one;ethane (CID 54123467) is 1,3-dimethylimidazol-2-one;ethane.

What is the SMILES notation for 1,3-Dimethylimidazol-2-one;ethane?

The canonical SMILES for 1,3-Dimethylimidazol-2-one;ethane is CC.CC.Cn1ccn(C)c1=O.

What is the InChIKey of 1,3-Dimethylimidazol-2-one;ethane?

The InChIKey is NPIMQJFIOSAKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.2C2H6/c1-6-3-4-7(2)5(6)8;2*1-2/h3-4H,1-2H3;2*1-2H3.

What are the key properties of 1,3-Dimethylimidazol-2-one;ethane?

1,3-Dimethylimidazol-2-one;ethane has a molecular weight of 172.27 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-Dimethylimidazol-2-one;ethane is sourced from PubChem (CID 54123467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54123467 — identifiers, structure, computed properties (public domain)

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