1-tridecylimidazole

C16H30N2 — CID 12922720

IUPAC1-tridecylimidazole
SMILESCCCCCCCCCCCCCn1ccnc1
InChIInChI=1S/C16H30N2/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-15-13-17-16-18/h13,15-16H,2-12,14H2,1H3
InChIKeyBBCHAGTYLQSTCK-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.19
Rot. Bonds12

About 1-tridecylimidazole

1-tridecylimidazole (PubChem CID 12922720) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-tridecylimidazole.

Molecular Properties

Compound Name1-tridecylimidazole
PubChem CID12922720
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-tridecylimidazole
SMILESCCCCCCCCCCCCCn1ccnc1
InChIInChI=1S/C16H30N2/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-15-13-17-16-18/h13,15-16H,2-12,14H2,1H3
InChIKeyBBCHAGTYLQSTCK-UHFFFAOYSA-N
XLogP5.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.19
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-tridecylimidazole?
The IUPAC name of 1-tridecylimidazole (CID 12922720) is 1-tridecylimidazole.
What is the SMILES notation for 1-tridecylimidazole?
The canonical SMILES for 1-tridecylimidazole is CCCCCCCCCCCCCn1ccnc1.
What is the InChIKey of 1-tridecylimidazole?
The InChIKey is BBCHAGTYLQSTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-15-13-17-16-18/h13,15-16H,2-12,14H2,1H3.
What are the key properties of 1-tridecylimidazole?
1-tridecylimidazole has a molecular weight of 250.43 g/mol, XLogP of 5.19, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tridecylimidazole is sourced from PubChem (CID 12922720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).