2-pentadecyl-2,3-dihydro-1H-imidazole

C18H36N2 — CID 14029873

IUPAC2-pentadecyl-2,3-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCCC1NC=CN1
InChIInChI=1S/C18H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19-16-17-20-18/h16-20H,2-15H2,1H3
InChIKeyBNSJFMWHZVTWGB-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.46
Rot. Bonds14

About 2-pentadecyl-2,3-dihydro-1H-imidazole

2-pentadecyl-2,3-dihydro-1H-imidazole (PubChem CID 14029873) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-pentadecyl-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-pentadecyl-2,3-dihydro-1H-imidazole
PubChem CID14029873
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-pentadecyl-2,3-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCCC1NC=CN1
InChIInChI=1S/C18H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19-16-17-20-18/h16-20H,2-15H2,1H3
InChIKeyBNSJFMWHZVTWGB-UHFFFAOYSA-N
XLogP5.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.46
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-pentadecyl-2,3-dihydro-1H-imidazole?
The IUPAC name of 2-pentadecyl-2,3-dihydro-1H-imidazole (CID 14029873) is 2-pentadecyl-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 2-pentadecyl-2,3-dihydro-1H-imidazole?
The canonical SMILES for 2-pentadecyl-2,3-dihydro-1H-imidazole is CCCCCCCCCCCCCCCC1NC=CN1.
What is the InChIKey of 2-pentadecyl-2,3-dihydro-1H-imidazole?
The InChIKey is BNSJFMWHZVTWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19-16-17-20-18/h16-20H,2-15H2,1H3.
What are the key properties of 2-pentadecyl-2,3-dihydro-1H-imidazole?
2-pentadecyl-2,3-dihydro-1H-imidazole has a molecular weight of 280.50 g/mol, XLogP of 5.46, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentadecyl-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 14029873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).