2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide

C92H134N8O8 — CID 102396045

IUPAC2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide
SMILESCCCCCCCCCCCCNC(=O)COc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(OCC(=O)NCCCCCCCCCCCC)cc5)c(-c5ccc(OCC(=O)NCCCCCCCCCCCC)cc5)[nH]4)cc3)[nH]c2-c2ccc(OCC(=O)NCCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C92H134N8O8/c1-5-9-13-17-21-25-29-33-37-41-65-93-83(101)69-105-79-57-49-73(50-58-79)87-88(74-51-59-80(60-52-74)106-70-84(102)94-66-42-38-34-30-26-22-18-14-10-6-2)98-91(97-87)77-45-47-78(48-46-77)92-99-89(75-53-61-81(62-54-75)107-71-85(103)95-67-43-39-35-31-27-23-19-15-11-7-3)90(100-92)76-55-63-82(64-56-76)108-72-86(104)96-68-44-40-36-32-28-24-20-16-12-8-4/h45-64H,5-44,65-72H2,1-4H3,(H,93,101)(H,94,102)(H,95,103)(H,96,104)(H,97,98)(H,99,100)
InChIKeyUSSOFRVUZLXRBO-UHFFFAOYSA-N
MW1480.13 g/mol
LogP22.80
Rot. Bonds62

About 2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide

2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide (PubChem CID 102396045) has the molecular formula C92H134N8O8 and a molecular weight of 1480.13 g/mol. Its IUPAC name is 2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide.

Molecular Properties

Compound Name2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide
PubChem CID102396045
Molecular FormulaC92H134N8O8
Molecular Weight1480.13 g/mol
Exact Mass1479.03
IUPAC Name2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide
SMILESCCCCCCCCCCCCNC(=O)COc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(OCC(=O)NCCCCCCCCCCCC)cc5)c(-c5ccc(OCC(=O)NCCCCCCCCCCCC)cc5)[nH]4)cc3)[nH]c2-c2ccc(OCC(=O)NCCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C92H134N8O8/c1-5-9-13-17-21-25-29-33-37-41-65-93-83(101)69-105-79-57-49-73(50-58-79)87-88(74-51-59-80(60-52-74)106-70-84(102)94-66-42-38-34-30-26-22-18-14-10-6-2)98-91(97-87)77-45-47-78(48-46-77)92-99-89(75-53-61-81(62-54-75)107-71-85(103)95-67-43-39-35-31-27-23-19-15-11-7-3)90(100-92)76-55-63-82(64-56-76)108-72-86(104)96-68-44-40-36-32-28-24-20-16-12-8-4/h45-64H,5-44,65-72H2,1-4H3,(H,93,101)(H,94,102)(H,95,103)(H,96,104)(H,97,98)(H,99,100)
InChIKeyUSSOFRVUZLXRBO-UHFFFAOYSA-N
XLogP22.80
TPSA210.68 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds62
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001480.13
LogP ≤ 522.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide with MolForge

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Related Compounds

2-[4-(4-cyanophenyl)phenoxy]-N-hexadecylacetamide
CID 3468682
2-[4-[2,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1-methylimidazol-4-yl]phenoxy]-N-dodecylacetamide
CID 177425012
2-(4-cyanophenoxy)-N-hexylacetamide
CID 9012992
2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 155908619
2-[4-[5-[4-[(E)-3-(dodecylamino)-3-oxoprop-1-enyl]phenyl]-2-pyridin-3-yl-1H-imidazol-4-yl]phenoxy]acetic acid
CID 70249824
[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl] dodecanoate
CID 86166353
3-[4-[4-[4-(carboxymethoxy)phenyl]-5-[4-[3-(dodecylamino)-3-oxoprop-1-enyl]phenyl]-1H-imidazol-2-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 70249240
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
N-hexadecyl-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093175
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
[2-(dodecylamino)-2-oxoethyl]-dimethyl-[2-[(2-phenoxyacetyl)amino]ethyl]azanium
CID 175685519
2-(3,5-dimethoxyphenoxy)-N-pentylacetamide
CID 112978560

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide?
The IUPAC name of 2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide (CID 102396045) is 2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide.
What is the SMILES notation for 2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide?
The canonical SMILES for 2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide is CCCCCCCCCCCCNC(=O)COc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(OCC(=O)NCCCCCCCCCCCC)cc5)c(-c5ccc(OCC(=O)NCCCCCCCCCCCC)cc5)[nH]4)cc3)[nH]c2-c2ccc(OCC(=O)NCCCCCCCCCCCC)cc2)cc1.
What is the InChIKey of 2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide?
The InChIKey is USSOFRVUZLXRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H134N8O8/c1-5-9-13-17-21-25-29-33-37-41-65-93-83(101)69-105-79-57-49-73(50-58-79)87-88(74-51-59-80(60-52-74)106-70-84(102)94-66-42-38-34-30-26-22-18-14-10-6-2)98-91(97-87)77-45-47-78(48-46-77)92-99-89(75-53-61-81(62-54-75)107-71-85(103)95-67-43-39-35-31-27-23-19-15-11-7-3)90(100-92)76-55-63-82(64-56-76)108-72-86(104)96-68-44-40-36-32-28-24-20-16-12-8-4/h45-64H,5-44,65-72H2,1-4H3,(H,93,101)(H,94,102)(H,95,103)(H,96,104)(H,97,98)(H,99,100).
What are the key properties of 2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide?
2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide has a molecular weight of 1480.13 g/mol, XLogP of 22.80, 62 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide is sourced from PubChem (CID 102396045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).