2-(1H-imidazol-5-yl)-N-pentylacetamide

C10H17N3O — CID 25128927

IUPAC2-(1H-imidazol-5-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1cnc[nH]1
InChIInChI=1S/C10H17N3O/c1-2-3-4-5-12-10(14)6-9-7-11-8-13-9/h7-8H,2-6H2,1H3,(H,11,13)(H,12,14)
InChIKeyGLXOLVVJLSXQSH-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.26
Rot. Bonds6

About 2-(1H-imidazol-5-yl)-N-pentylacetamide

2-(1H-imidazol-5-yl)-N-pentylacetamide (PubChem CID 25128927) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-pentylacetamide
PubChem CID25128927
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(1H-imidazol-5-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1cnc[nH]1
InChIInChI=1S/C10H17N3O/c1-2-3-4-5-12-10(14)6-9-7-11-8-13-9/h7-8H,2-6H2,1H3,(H,11,13)(H,12,14)
InChIKeyGLXOLVVJLSXQSH-UHFFFAOYSA-N
XLogP1.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-pentylacetamide?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-pentylacetamide (CID 25128927) is 2-(1H-imidazol-5-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-pentylacetamide?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-pentylacetamide is CCCCCNC(=O)Cc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-pentylacetamide?
The InChIKey is GLXOLVVJLSXQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-3-4-5-12-10(14)6-9-7-11-8-13-9/h7-8H,2-6H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 2-(1H-imidazol-5-yl)-N-pentylacetamide?
2-(1H-imidazol-5-yl)-N-pentylacetamide has a molecular weight of 195.27 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-pentylacetamide is sourced from PubChem (CID 25128927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).