1-tridecyl-4,5-dihydroimidazole

C16H32N2 — CID 57196707

IUPAC1-tridecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCN1C=NCC1
InChIInChI=1S/C16H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-15-13-17-16-18/h16H,2-15H2,1H3
InChIKeyLUQKZSLQECQABE-UHFFFAOYSA-N
MW252.45 g/mol
LogP4.64
Rot. Bonds12

About 1-tridecyl-4,5-dihydroimidazole

1-tridecyl-4,5-dihydroimidazole (PubChem CID 57196707) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-tridecyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-tridecyl-4,5-dihydroimidazole
PubChem CID57196707
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-tridecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCN1C=NCC1
InChIInChI=1S/C16H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-15-13-17-16-18/h16H,2-15H2,1H3
InChIKeyLUQKZSLQECQABE-UHFFFAOYSA-N
XLogP4.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
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 1-tridecyl-4,5-dihydroimidazole?
The IUPAC name of 1-tridecyl-4,5-dihydroimidazole (CID 57196707) is 1-tridecyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-tridecyl-4,5-dihydroimidazole?
The canonical SMILES for 1-tridecyl-4,5-dihydroimidazole is CCCCCCCCCCCCCN1C=NCC1.
What is the InChIKey of 1-tridecyl-4,5-dihydroimidazole?
The InChIKey is LUQKZSLQECQABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-15-13-17-16-18/h16H,2-15H2,1H3.
What are the key properties of 1-tridecyl-4,5-dihydroimidazole?
1-tridecyl-4,5-dihydroimidazole has a molecular weight of 252.45 g/mol, XLogP of 4.64, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tridecyl-4,5-dihydroimidazole is sourced from PubChem (CID 57196707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).