1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole

C41H64N2 — CID 69396235

IUPAC1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole
SMILESCCCCCCCCCCCCn1ccnc1C(CCCCCCCCCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C41H64N2/c1-4-6-8-10-12-14-15-17-19-27-34-43-35-33-42-40(43)39(32-26-18-16-13-11-9-7-5-2)41(3,38-30-24-21-25-31-38)36-37-28-22-20-23-29-37/h20-25,28-31,33,35,39H,4-19,26-27,32,34,36H2,1-3H3
InChIKeyYLLGKLDGKWPPLG-UHFFFAOYSA-N
MW584.98 g/mol
LogP12.62
Rot. Bonds25

About 1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole

1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole (PubChem CID 69396235) has the molecular formula C41H64N2 and a molecular weight of 584.98 g/mol. Its IUPAC name is 1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole.

Molecular Properties

Compound Name1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole
PubChem CID69396235
Molecular FormulaC41H64N2
Molecular Weight584.98 g/mol
Exact Mass584.51
IUPAC Name1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole
SMILESCCCCCCCCCCCCn1ccnc1C(CCCCCCCCCC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C41H64N2/c1-4-6-8-10-12-14-15-17-19-27-34-43-35-33-42-40(43)39(32-26-18-16-13-11-9-7-5-2)41(3,38-30-24-21-25-31-38)36-37-28-22-20-23-29-37/h20-25,28-31,33,35,39H,4-19,26-27,32,34,36H2,1-3H3
InChIKeyYLLGKLDGKWPPLG-UHFFFAOYSA-N
XLogP12.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.98
LogP ≤ 512.62
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-diphenyltetradecan-3-yl)-1-nonylimidazole
CID 69394767
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
2-(2-methyl-1,2-diphenyltridecan-3-yl)-1-pentylimidazole
CID 69396390

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole?
The IUPAC name of 1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole (CID 69396235) is 1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole.
What is the SMILES notation for 1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole?
The canonical SMILES for 1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole is CCCCCCCCCCCCn1ccnc1C(CCCCCCCCCC)C(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole?
The InChIKey is YLLGKLDGKWPPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H64N2/c1-4-6-8-10-12-14-15-17-19-27-34-43-35-33-42-40(43)39(32-26-18-16-13-11-9-7-5-2)41(3,38-30-24-21-25-31-38)36-37-28-22-20-23-29-37/h20-25,28-31,33,35,39H,4-19,26-27,32,34,36H2,1-3H3.
What are the key properties of 1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole?
1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole has a molecular weight of 584.98 g/mol, XLogP of 12.62, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-(2-methyl-1,2-diphenyltridecan-3-yl)imidazole is sourced from PubChem (CID 69396235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).