2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole

C39H60N2 — CID 69394767

IUPAC2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole
SMILESCCCCCCCCCCCC(c1nccn1CCCCCCCCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C39H60N2/c1-4-6-8-10-12-13-14-16-24-30-37(38-40-31-33-41(38)32-25-17-15-11-9-7-5-2)39(3,36-28-22-19-23-29-36)34-35-26-20-18-21-27-35/h18-23,26-29,31,33,37H,4-17,24-25,30,32,34H2,1-3H3
InChIKeyXLWVEKVZTQZBGF-UHFFFAOYSA-N
MW556.92 g/mol
LogP11.84
Rot. Bonds23

About 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole

2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole (PubChem CID 69394767) has the molecular formula C39H60N2 and a molecular weight of 556.92 g/mol. Its IUPAC name is 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole.

Molecular Properties

Compound Name2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole
PubChem CID69394767
Molecular FormulaC39H60N2
Molecular Weight556.92 g/mol
Exact Mass556.48
IUPAC Name2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole
SMILESCCCCCCCCCCCC(c1nccn1CCCCCCCCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C39H60N2/c1-4-6-8-10-12-13-14-16-24-30-37(38-40-31-33-41(38)32-25-17-15-11-9-7-5-2)39(3,36-28-22-19-23-29-36)34-35-26-20-18-21-27-35/h18-23,26-29,31,33,37H,4-17,24-25,30,32,34H2,1-3H3
InChIKeyXLWVEKVZTQZBGF-UHFFFAOYSA-N
XLogP11.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.92
LogP ≤ 511.84
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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Related Compounds

2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-octadecylimidazole
CID 69393145
2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole
CID 69395057
1-hexyl-2-(2-methyl-1,2-diphenyloctadecan-3-yl)imidazole
CID 69394432
1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole
CID 69393943
2-(2-methyl-1,2-diphenyldecan-3-yl)-1-undecylimidazole
CID 69393726
2-(2-methyl-1,2-diphenylheptadecan-3-yl)-1-octadecylimidazole
CID 69395580
2-(2-methyl-1,2-diphenylhexadecan-3-yl)-1-tridecylimidazole
CID 69398198
2-(2-methyl-1,2-diphenylicosan-3-yl)-1-pentylimidazole
CID 69389553
2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole
CID 69390029
1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole
CID 69386928
1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole
CID 69396235
2-(2-methyl-1,2-diphenyltridecan-3-yl)-1-pentylimidazole
CID 69396390

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole?
The IUPAC name of 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole (CID 69394767) is 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole.
What is the SMILES notation for 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole?
The canonical SMILES for 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole is CCCCCCCCCCCC(c1nccn1CCCCCCCCC)C(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole?
The InChIKey is XLWVEKVZTQZBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H60N2/c1-4-6-8-10-12-13-14-16-24-30-37(38-40-31-33-41(38)32-25-17-15-11-9-7-5-2)39(3,36-28-22-19-23-29-36)34-35-26-20-18-21-27-35/h18-23,26-29,31,33,37H,4-17,24-25,30,32,34H2,1-3H3.
What are the key properties of 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole?
2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole has a molecular weight of 556.92 g/mol, XLogP of 11.84, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole is sourced from PubChem (CID 69394767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).