1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole

C26H34N2 — CID 69397916

IUPAC1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole
SMILESCCCCCC(c1nccn1CC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H34N2/c1-4-6-9-18-24(25-27-19-20-28(25)5-2)26(3,23-16-12-8-13-17-23)21-22-14-10-7-11-15-22/h7-8,10-17,19-20,24H,4-6,9,18,21H2,1-3H3
InChIKeyYLXLXJMCGCUSJZ-UHFFFAOYSA-N
MW374.57 g/mol
LogP6.77
Rot. Bonds10

About 1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole

1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole (PubChem CID 69397916) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole
PubChem CID69397916
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Name1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole
SMILESCCCCCC(c1nccn1CC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H34N2/c1-4-6-9-18-24(25-27-19-20-28(25)5-2)26(3,23-16-12-8-13-17-23)21-22-14-10-7-11-15-22/h7-8,10-17,19-20,24H,4-6,9,18,21H2,1-3H3
InChIKeyYLXLXJMCGCUSJZ-UHFFFAOYSA-N
XLogP6.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.77
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

1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole
CID 69397932
1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole
CID 69393943
2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole
CID 69394767
2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-octadecylimidazole
CID 69393145
1-hexyl-2-(2-methyl-1,2-diphenyloctadecan-3-yl)imidazole
CID 69394432
2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole
CID 69395057
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-diphenylnonadecan-3-yl)-1-propylimidazole
CID 69397803
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole?
The IUPAC name of 1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole (CID 69397916) is 1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole.
What is the SMILES notation for 1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole?
The canonical SMILES for 1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole is CCCCCC(c1nccn1CC)C(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole?
The InChIKey is YLXLXJMCGCUSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2/c1-4-6-9-18-24(25-27-19-20-28(25)5-2)26(3,23-16-12-8-13-17-23)21-22-14-10-7-11-15-22/h7-8,10-17,19-20,24H,4-6,9,18,21H2,1-3H3.
What are the key properties of 1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole?
1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole has a molecular weight of 374.57 g/mol, XLogP of 6.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole is sourced from PubChem (CID 69397916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).