2-[2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole

C26H26N4O2 — CID 11293236

IUPAC2-[2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole
SMILESc1cc2oc(CCCCc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1
InChIInChI=1S/C26H26N4O2/c1(3-21-15-19-13-17(5-7-23(19)31-21)25-27-9-10-28-25)2-4-22-16-20-14-18(6-8-24(20)32-22)26-29-11-12-30-26/h5-8,13-16H,1-4,9-12H2,(H,27,28)(H,29,30)
InChIKeyRWPQQVPECAZMMI-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.44
Rot. Bonds7

About 2-[2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole

2-[2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole (PubChem CID 11293236) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole
PubChem CID11293236
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-[2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole
SMILESc1cc2oc(CCCCc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1
InChIInChI=1S/C26H26N4O2/c1(3-21-15-19-13-17(5-7-23(19)31-21)25-27-9-10-28-25)2-4-22-16-20-14-18(6-8-24(20)32-22)26-29-11-12-30-26/h5-8,13-16H,1-4,9-12H2,(H,27,28)(H,29,30)
InChIKeyRWPQQVPECAZMMI-UHFFFAOYSA-N
XLogP4.44
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole (CID 11293236) is 2-[2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole is c1cc2oc(CCCCc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1.
What is the InChIKey of 2-[2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is RWPQQVPECAZMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1(3-21-15-19-13-17(5-7-23(19)31-21)25-27-9-10-28-25)2-4-22-16-20-14-18(6-8-24(20)32-22)26-29-11-12-30-26/h5-8,13-16H,1-4,9-12H2,(H,27,28)(H,29,30).
What are the key properties of 2-[2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
2-[2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 426.52 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11293236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).