5-undec-3-ynyl-1H-imidazole

C14H22N2 — CID 10220060

IUPAC5-undec-3-ynyl-1H-imidazole
SMILESCCCCCCCC#CCCc1cnc[nH]1
InChIInChI=1S/C14H22N2/c1-2-3-4-5-6-7-8-9-10-11-14-12-15-13-16-14/h12-13H,2-7,10-11H2,1H3,(H,15,16)
InChIKeyFBVJGNFPPXUUOV-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.71
Rot. Bonds7

About 5-undec-3-ynyl-1H-imidazole

5-undec-3-ynyl-1H-imidazole (PubChem CID 10220060) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-undec-3-ynyl-1H-imidazole.

Molecular Properties

Compound Name5-undec-3-ynyl-1H-imidazole
PubChem CID10220060
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-undec-3-ynyl-1H-imidazole
SMILESCCCCCCCC#CCCc1cnc[nH]1
InChIInChI=1S/C14H22N2/c1-2-3-4-5-6-7-8-9-10-11-14-12-15-13-16-14/h12-13H,2-7,10-11H2,1H3,(H,15,16)
InChIKeyFBVJGNFPPXUUOV-UHFFFAOYSA-N
XLogP3.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-undec-3-ynyl-1H-imidazole?
The IUPAC name of 5-undec-3-ynyl-1H-imidazole (CID 10220060) is 5-undec-3-ynyl-1H-imidazole.
What is the SMILES notation for 5-undec-3-ynyl-1H-imidazole?
The canonical SMILES for 5-undec-3-ynyl-1H-imidazole is CCCCCCCC#CCCc1cnc[nH]1.
What is the InChIKey of 5-undec-3-ynyl-1H-imidazole?
The InChIKey is FBVJGNFPPXUUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-3-4-5-6-7-8-9-10-11-14-12-15-13-16-14/h12-13H,2-7,10-11H2,1H3,(H,15,16).
What are the key properties of 5-undec-3-ynyl-1H-imidazole?
5-undec-3-ynyl-1H-imidazole has a molecular weight of 218.34 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-undec-3-ynyl-1H-imidazole is sourced from PubChem (CID 10220060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).