1-propyl-2-undecyl-4,5-dihydroimidazole

C17H34N2 — CID 15158287

IUPAC1-propyl-2-undecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCC1=NCCN1CCC
InChIInChI=1S/C17H34N2/c1-3-5-6-7-8-9-10-11-12-13-17-18-14-16-19(17)15-4-2/h3-16H2,1-2H3
InChIKeyKZOZXTHREVXHJD-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.03
Rot. Bonds12

About 1-propyl-2-undecyl-4,5-dihydroimidazole

1-propyl-2-undecyl-4,5-dihydroimidazole (PubChem CID 15158287) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-propyl-2-undecyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-propyl-2-undecyl-4,5-dihydroimidazole
PubChem CID15158287
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-propyl-2-undecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCC1=NCCN1CCC
InChIInChI=1S/C17H34N2/c1-3-5-6-7-8-9-10-11-12-13-17-18-14-16-19(17)15-4-2/h3-16H2,1-2H3
InChIKeyKZOZXTHREVXHJD-UHFFFAOYSA-N
XLogP5.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.03
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-propyl-2-undecyl-4,5-dihydroimidazole?
The IUPAC name of 1-propyl-2-undecyl-4,5-dihydroimidazole (CID 15158287) is 1-propyl-2-undecyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-propyl-2-undecyl-4,5-dihydroimidazole?
The canonical SMILES for 1-propyl-2-undecyl-4,5-dihydroimidazole is CCCCCCCCCCCC1=NCCN1CCC.
What is the InChIKey of 1-propyl-2-undecyl-4,5-dihydroimidazole?
The InChIKey is KZOZXTHREVXHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-5-6-7-8-9-10-11-12-13-17-18-14-16-19(17)15-4-2/h3-16H2,1-2H3.
What are the key properties of 1-propyl-2-undecyl-4,5-dihydroimidazole?
1-propyl-2-undecyl-4,5-dihydroimidazole has a molecular weight of 266.47 g/mol, XLogP of 5.03, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-undecyl-4,5-dihydroimidazole is sourced from PubChem (CID 15158287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).