N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide

C₁₀H₁₅N₃O₂ — CID 102684999

About N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide

N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide (PubChem CID 102684999) has the molecular formula C₁₀H₁₅N₃O₂ and a molecular weight of 209.25 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
• PubChem CID: 102684999
• Molecular Formula: C₁₀H₁₅N₃O₂
• Molecular Weight: 209.25 g/mol
• Exact Mass: 209.12
• IUPAC Name: N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
• SMILES: O=C(c1cnc[nH]1)N(CCO)C1CCC1
• InChI: InChI=1S/C10H15N3O2/c14-5-4-13(8-2-1-3-8)10(15)9-6-11-7-12-9/h6-8,14H,1-5H2,(H,11,12)
• InChIKey: XNPOYLWEBQCWEU-UHFFFAOYSA-N
• XLogP: 0.40
• TPSA: 69.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.25
LogP ≤ 5	0.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide?

The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide (CID 102684999) is N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide.

What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide?

The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide is O=C(c1cnc[nH]1)N(CCO)C1CCC1.

What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide?

The InChIKey is XNPOYLWEBQCWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-5-4-13(8-2-1-3-8)10(15)9-6-11-7-12-9/h6-8,14H,1-5H2,(H,11,12).

What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide?

N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 102684999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102684999 — identifiers, structure, computed properties (public domain)

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