4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole

C55H46Cl4N4O6 — CID 173215481

IUPAC4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole
SMILESCOc1ccc(-c2ccc(C=Cc3ncc(-c4ccc(Cl)cc4Cl)[nH]3)cc2)cc1.O=C(O)CCCOc1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3CCCC(=O)O)cc2)cc1
InChIInChI=1S/C31H28Cl2N2O5.C24H18Cl2N2O/c32-24-12-15-26(27(33)19-24)28-20-35(17-1-3-30(36)37)29(34-28)16-7-21-5-8-22(9-6-21)23-10-13-25(14-11-23)40-18-2-4-31(38)39;1-29-20-10-7-18(8-11-20)17-5-2-16(3-6-17)4-13-24-27-15-23(28-24)21-12-9-19(25)14-22(21)26/h5-16,19-20H,1-4,17-18H2,(H,36,37)(H,38,39);2-15H,1H3,(H,27,28)
InChIKeyNLIJRADQZDWRRD-UHFFFAOYSA-N
MW1000.81 g/mol
LogP15.03
Rot. Bonds18

About 4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole

4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole (PubChem CID 173215481) has the molecular formula C55H46Cl4N4O6 and a molecular weight of 1000.81 g/mol. Its IUPAC name is 4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole.

Molecular Properties

Compound Name4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole
PubChem CID173215481
Molecular FormulaC55H46Cl4N4O6
Molecular Weight1000.81 g/mol
Exact Mass998.22
IUPAC Name4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole
SMILESCOc1ccc(-c2ccc(C=Cc3ncc(-c4ccc(Cl)cc4Cl)[nH]3)cc2)cc1.O=C(O)CCCOc1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3CCCC(=O)O)cc2)cc1
InChIInChI=1S/C31H28Cl2N2O5.C24H18Cl2N2O/c32-24-12-15-26(27(33)19-24)28-20-35(17-1-3-30(36)37)29(34-28)16-7-21-5-8-22(9-6-21)23-10-13-25(14-11-23)40-18-2-4-31(38)39;1-29-20-10-7-18(8-11-20)17-5-2-16(3-6-17)4-13-24-27-15-23(28-24)21-12-9-19(25)14-22(21)26/h5-16,19-20H,1-4,17-18H2,(H,36,37)(H,38,39);2-15H,1H3,(H,27,28)
InChIKeyNLIJRADQZDWRRD-UHFFFAOYSA-N
XLogP15.03
TPSA139.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001000.81
LogP ≤ 515.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole?
The IUPAC name of 4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole (CID 173215481) is 4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole.
What is the SMILES notation for 4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole?
The canonical SMILES for 4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole is COc1ccc(-c2ccc(C=Cc3ncc(-c4ccc(Cl)cc4Cl)[nH]3)cc2)cc1.O=C(O)CCCOc1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3CCCC(=O)O)cc2)cc1.
What is the InChIKey of 4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole?
The InChIKey is NLIJRADQZDWRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28Cl2N2O5.C24H18Cl2N2O/c32-24-12-15-26(27(33)19-24)28-20-35(17-1-3-30(36)37)29(34-28)16-7-21-5-8-22(9-6-21)23-10-13-25(14-11-23)40-18-2-4-31(38)39;1-29-20-10-7-18(8-11-20)17-5-2-16(3-6-17)4-13-24-27-15-23(28-24)21-12-9-19(25)14-22(21)26/h5-16,19-20H,1-4,17-18H2,(H,36,37)(H,38,39);2-15H,1H3,(H,27,28).
What are the key properties of 4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole?
4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole has a molecular weight of 1000.81 g/mol, XLogP of 15.03, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole is sourced from PubChem (CID 173215481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).