2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole

C29H28N4O3 — CID 11306162

IUPAC2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESc1cc(C2=NCCN2)ccc1OCCCOc1ccc(-c2cc3cc(C4=NCCN4)ccc3o2)cc1
InChIInChI=1S/C29H28N4O3/c1(17-35-25-9-4-21(5-10-25)28-30-12-13-31-28)16-34-24-7-2-20(3-8-24)27-19-23-18-22(6-11-26(23)36-27)29-32-14-15-33-29/h2-11,18-19H,1,12-17H2,(H,30,31)(H,32,33)
InChIKeyAJRRSVVDXXGFSU-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.65
Rot. Bonds9

About 2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole

2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 11306162) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID11306162
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC Name2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESc1cc(C2=NCCN2)ccc1OCCCOc1ccc(-c2cc3cc(C4=NCCN4)ccc3o2)cc1
InChIInChI=1S/C29H28N4O3/c1(17-35-25-9-4-21(5-10-25)28-30-12-13-31-28)16-34-24-7-2-20(3-8-24)27-19-23-18-22(6-11-26(23)36-27)29-32-14-15-33-29/h2-11,18-19H,1,12-17H2,(H,30,31)(H,32,33)
InChIKeyAJRRSVVDXXGFSU-UHFFFAOYSA-N
XLogP4.65
TPSA80.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.65
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-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole (CID 11306162) is 2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole is c1cc(C2=NCCN2)ccc1OCCCOc1ccc(-c2cc3cc(C4=NCCN4)ccc3o2)cc1.
What is the InChIKey of 2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is AJRRSVVDXXGFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3/c1(17-35-25-9-4-21(5-10-25)28-30-12-13-31-28)16-34-24-7-2-20(3-8-24)27-19-23-18-22(6-11-26(23)36-27)29-32-14-15-33-29/h2-11,18-19H,1,12-17H2,(H,30,31)(H,32,33).
What are the key properties of 2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole?
2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 480.57 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11306162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).