1-imidazol-1-yltetradecan-1-one

C17H30N2O — CID 11108675

IUPAC1-imidazol-1-yltetradecan-1-one
SMILESCCCCCCCCCCCCCC(=O)n1ccnc1
InChIInChI=1S/C17H30N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-15-14-18-16-19/h14-16H,2-13H2,1H3
InChIKeyJIRATRUDPNBMTB-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.22
Rot. Bonds12

About 1-imidazol-1-yltetradecan-1-one

1-imidazol-1-yltetradecan-1-one (PubChem CID 11108675) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-imidazol-1-yltetradecan-1-one.

Molecular Properties

Compound Name1-imidazol-1-yltetradecan-1-one
PubChem CID11108675
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-imidazol-1-yltetradecan-1-one
SMILESCCCCCCCCCCCCCC(=O)n1ccnc1
InChIInChI=1S/C17H30N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-15-14-18-16-19/h14-16H,2-13H2,1H3
InChIKeyJIRATRUDPNBMTB-UHFFFAOYSA-N
XLogP5.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-imidazol-1-yltetradecan-1-one?
The IUPAC name of 1-imidazol-1-yltetradecan-1-one (CID 11108675) is 1-imidazol-1-yltetradecan-1-one.
What is the SMILES notation for 1-imidazol-1-yltetradecan-1-one?
The canonical SMILES for 1-imidazol-1-yltetradecan-1-one is CCCCCCCCCCCCCC(=O)n1ccnc1.
What is the InChIKey of 1-imidazol-1-yltetradecan-1-one?
The InChIKey is JIRATRUDPNBMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-15-14-18-16-19/h14-16H,2-13H2,1H3.
What are the key properties of 1-imidazol-1-yltetradecan-1-one?
1-imidazol-1-yltetradecan-1-one has a molecular weight of 278.44 g/mol, XLogP of 5.22, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yltetradecan-1-one is sourced from PubChem (CID 11108675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).