4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate

C43H48N4O4 — CID 67809242

IUPAC4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate
SMILESCOCCOCCOC(=O)CCCCCCCn1cnc(-c2ccccc2)c1-c1ccccc1.c1ccc(-c2nc[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C28H36N2O4.C15H12N2/c1-32-19-20-33-21-22-34-26(31)17-11-3-2-4-12-18-30-23-29-27(24-13-7-5-8-14-24)28(30)25-15-9-6-10-16-25;1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h5-10,13-16,23H,2-4,11-12,17-22H2,1H3;1-11H,(H,16,17)
InChIKeyPFMXOGRAPCOWCD-UHFFFAOYSA-N
MW684.88 g/mol
LogP9.51
Rot. Bonds18

About 4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate

4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate (PubChem CID 67809242) has the molecular formula C43H48N4O4 and a molecular weight of 684.88 g/mol. Its IUPAC name is 4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate.

Molecular Properties

Compound Name4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate
PubChem CID67809242
Molecular FormulaC43H48N4O4
Molecular Weight684.88 g/mol
Exact Mass684.37
IUPAC Name4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate
SMILESCOCCOCCOC(=O)CCCCCCCn1cnc(-c2ccccc2)c1-c1ccccc1.c1ccc(-c2nc[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C28H36N2O4.C15H12N2/c1-32-19-20-33-21-22-34-26(31)17-11-3-2-4-12-18-30-23-29-27(24-13-7-5-8-14-24)28(30)25-15-9-6-10-16-25;1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h5-10,13-16,23H,2-4,11-12,17-22H2,1H3;1-11H,(H,16,17)
InChIKeyPFMXOGRAPCOWCD-UHFFFAOYSA-N
XLogP9.51
TPSA91.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.88
LogP ≤ 59.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one
CID 10179650
methyl 4-[5-(4-cyanophenyl)-4-phenylimidazol-1-yl]butanoate
CID 50952859
1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole
CID 10133391
6-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] hexanedioate;bis[2-(2-methoxyethoxy)ethyl] hexanedioate;dibenzyl hexanedioate
CID 158933563
1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole
CID 10202731
methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate
CID 50972369
2-(2-methoxyethoxy)ethyl 4-anilinobutanoate
CID 104563449
2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide
CID 50984888
methyl 4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]butanoate
CID 50953356
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate
CID 23522622
2-(2-phenoxyethoxy)ethyl octadecanoate
CID 18459535

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate?
The IUPAC name of 4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate (CID 67809242) is 4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate.
What is the SMILES notation for 4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate?
The canonical SMILES for 4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate is COCCOCCOC(=O)CCCCCCCn1cnc(-c2ccccc2)c1-c1ccccc1.c1ccc(-c2nc[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate?
The InChIKey is PFMXOGRAPCOWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O4.C15H12N2/c1-32-19-20-33-21-22-34-26(31)17-11-3-2-4-12-18-30-23-29-27(24-13-7-5-8-14-24)28(30)25-15-9-6-10-16-25;1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h5-10,13-16,23H,2-4,11-12,17-22H2,1H3;1-11H,(H,16,17).
What are the key properties of 4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate?
4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate has a molecular weight of 684.88 g/mol, XLogP of 9.51, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate is sourced from PubChem (CID 67809242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).