4-(2-imidazol-1-ylethyl)-1-(6-methyldodecan-6-yl)triazole

C20H35N5 — CID 155431553

IUPAC4-(2-imidazol-1-ylethyl)-1-(6-methyldodecan-6-yl)triazole
SMILESCCCCCCC(C)(CCCCC)n1cc(CCn2ccnc2)nn1
InChIInChI=1S/C20H35N5/c1-4-6-8-10-13-20(3,12-9-7-5-2)25-17-19(22-23-25)11-15-24-16-14-21-18-24/h14,16-18H,4-13,15H2,1-3H3
InChIKeyLAYARWAWSDRLKK-UHFFFAOYSA-N
MW345.54 g/mol
LogP4.98
Rot. Bonds13

About 4-(2-imidazol-1-ylethyl)-1-(6-methyldodecan-6-yl)triazole

4-(2-imidazol-1-ylethyl)-1-(6-methyldodecan-6-yl)triazole (PubChem CID 155431553) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is 4-(2-imidazol-1-ylethyl)-1-(6-methyldodecan-6-yl)triazole.

Molecular Properties

Compound Name4-(2-imidazol-1-ylethyl)-1-(6-methyldodecan-6-yl)triazole
PubChem CID155431553
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC Name4-(2-imidazol-1-ylethyl)-1-(6-methyldodecan-6-yl)triazole
SMILESCCCCCCC(C)(CCCCC)n1cc(CCn2ccnc2)nn1
InChIInChI=1S/C20H35N5/c1-4-6-8-10-13-20(3,12-9-7-5-2)25-17-19(22-23-25)11-15-24-16-14-21-18-24/h14,16-18H,4-13,15H2,1-3H3
InChIKeyLAYARWAWSDRLKK-UHFFFAOYSA-N
XLogP4.98
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 175434544
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CID 146436404
1-(11,11-dimethyldodecyl)imidazole
CID 118887404
1-ethylimidazole;octane
CID 145297576
carbonic acid;1-dodecylimidazole
CID 175596781
acetic acid;1-decylimidazole
CID 175546754
sodium;1-butylimidazole;bromide
CID 175480877
4-(5,5-dimethylhexyl)-1-(2-methylpentan-2-yl)triazole
CID 130295953
1-(3,3-dimethylhexyl)imidazole
CID 144603269
1,4-dioctyltriazole
CID 22628762
1-(2-methylundecan-2-yl)imidazole
CID 151900805

Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazol-1-ylethyl)-1-(6-methyldodecan-6-yl)triazole?
The IUPAC name of 4-(2-imidazol-1-ylethyl)-1-(6-methyldodecan-6-yl)triazole (CID 155431553) is 4-(2-imidazol-1-ylethyl)-1-(6-methyldodecan-6-yl)triazole.
What is the SMILES notation for 4-(2-imidazol-1-ylethyl)-1-(6-methyldodecan-6-yl)triazole?
The canonical SMILES for 4-(2-imidazol-1-ylethyl)-1-(6-methyldodecan-6-yl)triazole is CCCCCCC(C)(CCCCC)n1cc(CCn2ccnc2)nn1.
What is the InChIKey of 4-(2-imidazol-1-ylethyl)-1-(6-methyldodecan-6-yl)triazole?
The InChIKey is LAYARWAWSDRLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5/c1-4-6-8-10-13-20(3,12-9-7-5-2)25-17-19(22-23-25)11-15-24-16-14-21-18-24/h14,16-18H,4-13,15H2,1-3H3.
What are the key properties of 4-(2-imidazol-1-ylethyl)-1-(6-methyldodecan-6-yl)triazole?
4-(2-imidazol-1-ylethyl)-1-(6-methyldodecan-6-yl)triazole has a molecular weight of 345.54 g/mol, XLogP of 4.98, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazol-1-ylethyl)-1-(6-methyldodecan-6-yl)triazole is sourced from PubChem (CID 155431553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).