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

C10H15N3O2 — CID 102684999

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
SMILESO=C(c1cnc[nH]1)N(CCO)C1CCC1
InChIInChI=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)
InChIKeyXNPOYLWEBQCWEU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.40
Rot. Bonds4

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 NameN-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
PubChem CID102684999
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
SMILESO=C(c1cnc[nH]1)N(CCO)C1CCC1
InChIInChI=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)
InChIKeyXNPOYLWEBQCWEU-UHFFFAOYSA-N
XLogP0.40
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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).