N-hexyl-2-(1H-imidazol-5-yl)acetamide

C11H19N3O — CID 23630005

IUPACN-hexyl-2-(1H-imidazol-5-yl)acetamide
SMILESCCCCCCNC(=O)Cc1cnc[nH]1
InChIInChI=1S/C11H19N3O/c1-2-3-4-5-6-13-11(15)7-10-8-12-9-14-10/h8-9H,2-7H2,1H3,(H,12,14)(H,13,15)
InChIKeyTZKCWKZLLMJPNV-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.65
Rot. Bonds7

About N-hexyl-2-(1H-imidazol-5-yl)acetamide

N-hexyl-2-(1H-imidazol-5-yl)acetamide (PubChem CID 23630005) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-hexyl-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-hexyl-2-(1H-imidazol-5-yl)acetamide
PubChem CID23630005
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-hexyl-2-(1H-imidazol-5-yl)acetamide
SMILESCCCCCCNC(=O)Cc1cnc[nH]1
InChIInChI=1S/C11H19N3O/c1-2-3-4-5-6-13-11(15)7-10-8-12-9-14-10/h8-9H,2-7H2,1H3,(H,12,14)(H,13,15)
InChIKeyTZKCWKZLLMJPNV-UHFFFAOYSA-N
XLogP1.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.65
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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Related Compounds

CID 69602
CID 69602
CID 6419997
CID 6419997
CID 2574
CID 2574
CID 150841
CID 150841
CID 445697
CID 445697
CID 10264751
CID 10264751
CID 44328318
CID 44328318
CID 86566962
CID 86566962
CID 6993092
CID 6993092
CID 24826317
CID 24826317
CID 14742544
CID 14742544
CID 10263997
CID 10263997

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-hexyl-2-(1H-imidazol-5-yl)acetamide (CID 23630005) is N-hexyl-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-hexyl-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-hexyl-2-(1H-imidazol-5-yl)acetamide is CCCCCCNC(=O)Cc1cnc[nH]1.
What is the InChIKey of N-hexyl-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is TZKCWKZLLMJPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-4-5-6-13-11(15)7-10-8-12-9-14-10/h8-9H,2-7H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-hexyl-2-(1H-imidazol-5-yl)acetamide?
N-hexyl-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 209.29 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 23630005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).