2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole

C32H34N4O3 — CID 11318412

IUPAC2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESc1cc(C2=NCCN2)ccc1OCCCCCCOc1ccc(-c2cc3ccc(C4=NCCN4)cc3o2)cc1
InChIInChI=1S/C32H34N4O3/c1(2-4-20-38-28-13-9-24(10-14-28)31-33-15-16-34-31)3-19-37-27-11-7-23(8-12-27)29-21-25-5-6-26(22-30(25)39-29)32-35-17-18-36-32/h5-14,21-22H,1-4,15-20H2,(H,33,34)(H,35,36)
InChIKeyYPXRBZOHDNGEPD-UHFFFAOYSA-N
MW522.65 g/mol
LogP5.82
Rot. Bonds12

About 2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole

2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 11318412) has the molecular formula C32H34N4O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is 2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID11318412
Molecular FormulaC32H34N4O3
Molecular Weight522.65 g/mol
Exact Mass522.26
IUPAC Name2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESc1cc(C2=NCCN2)ccc1OCCCCCCOc1ccc(-c2cc3ccc(C4=NCCN4)cc3o2)cc1
InChIInChI=1S/C32H34N4O3/c1(2-4-20-38-28-13-9-24(10-14-28)31-33-15-16-34-31)3-19-37-27-11-7-23(8-12-27)29-21-25-5-6-26(22-30(25)39-29)32-35-17-18-36-32/h5-14,21-22H,1-4,15-20H2,(H,33,34)(H,35,36)
InChIKeyYPXRBZOHDNGEPD-UHFFFAOYSA-N
XLogP5.82
TPSA80.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole (CID 11318412) is 2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole is c1cc(C2=NCCN2)ccc1OCCCCCCOc1ccc(-c2cc3ccc(C4=NCCN4)cc3o2)cc1.
What is the InChIKey of 2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is YPXRBZOHDNGEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3/c1(2-4-20-38-28-13-9-24(10-14-28)31-33-15-16-34-31)3-19-37-27-11-7-23(8-12-27)29-21-25-5-6-26(22-30(25)39-29)32-35-17-18-36-32/h5-14,21-22H,1-4,15-20H2,(H,33,34)(H,35,36).
What are the key properties of 2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole?
2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 522.65 g/mol, XLogP of 5.82, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11318412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).