1-undecylimidazole

C14H26N2 — CID 12555595

IUPAC1-undecylimidazole
SMILESCCCCCCCCCCCn1ccnc1
InChIInChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-15-14-16/h11,13-14H,2-10,12H2,1H3
InChIKeyPKCPMTJMGADWTA-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.41
Rot. Bonds10

About 1-undecylimidazole

1-undecylimidazole (PubChem CID 12555595) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-undecylimidazole.

Molecular Properties

Compound Name1-undecylimidazole
PubChem CID12555595
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-undecylimidazole
SMILESCCCCCCCCCCCn1ccnc1
InChIInChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-15-14-16/h11,13-14H,2-10,12H2,1H3
InChIKeyPKCPMTJMGADWTA-UHFFFAOYSA-N
XLogP4.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.41
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-undecylimidazole?
The IUPAC name of 1-undecylimidazole (CID 12555595) is 1-undecylimidazole.
What is the SMILES notation for 1-undecylimidazole?
The canonical SMILES for 1-undecylimidazole is CCCCCCCCCCCn1ccnc1.
What is the InChIKey of 1-undecylimidazole?
The InChIKey is PKCPMTJMGADWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-15-14-16/h11,13-14H,2-10,12H2,1H3.
What are the key properties of 1-undecylimidazole?
1-undecylimidazole has a molecular weight of 222.38 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undecylimidazole is sourced from PubChem (CID 12555595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).