2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]but-2-enoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole

C24H28N4O4 — CID 6473924

IUPAC2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]but-2-enoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1cc(C2=NCCN2)ccc1OC/C=C/COc1ccc(C2=NCCN2)cc1OC
InChIInChI=1S/C24H28N4O4/c1-29-21-15-17(23-25-9-10-26-23)5-7-19(21)31-13-3-4-14-32-20-8-6-18(16-22(20)30-2)24-27-11-12-28-24/h3-8,15-16H,9-14H2,1-2H3,(H,25,26)(H,27,28)/b4-3+
InChIKeyMYSGVUFREQWWGZ-ONEGZZNKSA-N
MW436.51 g/mol
LogP2.42
Rot. Bonds10

About 2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]but-2-enoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole

2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]but-2-enoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole (PubChem CID 6473924) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]but-2-enoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]but-2-enoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
PubChem CID6473924
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]but-2-enoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1cc(C2=NCCN2)ccc1OC/C=C/COc1ccc(C2=NCCN2)cc1OC
InChIInChI=1S/C24H28N4O4/c1-29-21-15-17(23-25-9-10-26-23)5-7-19(21)31-13-3-4-14-32-20-8-6-18(16-22(20)30-2)24-27-11-12-28-24/h3-8,15-16H,9-14H2,1-2H3,(H,25,26)(H,27,28)/b4-3+
InChIKeyMYSGVUFREQWWGZ-ONEGZZNKSA-N
XLogP2.42
TPSA85.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]but-2-enoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]but-2-enoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole (CID 6473924) is 2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]but-2-enoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]but-2-enoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]but-2-enoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole is COc1cc(C2=NCCN2)ccc1OC/C=C/COc1ccc(C2=NCCN2)cc1OC.
What is the InChIKey of 2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]but-2-enoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is MYSGVUFREQWWGZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-29-21-15-17(23-25-9-10-26-23)5-7-19(21)31-13-3-4-14-32-20-8-6-18(16-22(20)30-2)24-27-11-12-28-24/h3-8,15-16H,9-14H2,1-2H3,(H,25,26)(H,27,28)/b4-3+.
What are the key properties of 2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]but-2-enoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole?
2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]but-2-enoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 436.51 g/mol, XLogP of 2.42, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]but-2-enoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 6473924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).