2-(1H-imidazol-5-yl)-N,N-dipentylacetamide

C15H27N3O — CID 25128928

IUPAC2-(1H-imidazol-5-yl)-N,N-dipentylacetamide
SMILESCCCCCN(CCCCC)C(=O)Cc1cnc[nH]1
InChIInChI=1S/C15H27N3O/c1-3-5-7-9-18(10-8-6-4-2)15(19)11-14-12-16-13-17-14/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyBVXUBRRFBRQVGL-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.16
Rot. Bonds10

About 2-(1H-imidazol-5-yl)-N,N-dipentylacetamide

2-(1H-imidazol-5-yl)-N,N-dipentylacetamide (PubChem CID 25128928) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N,N-dipentylacetamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N,N-dipentylacetamide
PubChem CID25128928
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(1H-imidazol-5-yl)-N,N-dipentylacetamide
SMILESCCCCCN(CCCCC)C(=O)Cc1cnc[nH]1
InChIInChI=1S/C15H27N3O/c1-3-5-7-9-18(10-8-6-4-2)15(19)11-14-12-16-13-17-14/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyBVXUBRRFBRQVGL-UHFFFAOYSA-N
XLogP3.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
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,N-dipentylacetamide?
The IUPAC name of 2-(1H-imidazol-5-yl)-N,N-dipentylacetamide (CID 25128928) is 2-(1H-imidazol-5-yl)-N,N-dipentylacetamide.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N,N-dipentylacetamide?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N,N-dipentylacetamide is CCCCCN(CCCCC)C(=O)Cc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N,N-dipentylacetamide?
The InChIKey is BVXUBRRFBRQVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-5-7-9-18(10-8-6-4-2)15(19)11-14-12-16-13-17-14/h12-13H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 2-(1H-imidazol-5-yl)-N,N-dipentylacetamide?
2-(1H-imidazol-5-yl)-N,N-dipentylacetamide has a molecular weight of 265.40 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N,N-dipentylacetamide is sourced from PubChem (CID 25128928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).