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

C27H28N4O2 — CID 23657430

IUPAC2-[2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
SMILESc1cc2cc(CCCCCc3cc4ccc(C5=NCCN5)cc4o3)oc2cc1C1=NCCN1
InChIInChI=1S/C27H28N4O2/c1(2-4-22-14-18-6-8-20(16-24(18)32-22)26-28-10-11-29-26)3-5-23-15-19-7-9-21(17-25(19)33-23)27-30-12-13-31-27/h6-9,14-17H,1-5,10-13H2,(H,28,29)(H,30,31)
InChIKeyWRSINMJRUCRXEG-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.83
Rot. Bonds8

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

2-[2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole (PubChem CID 23657430) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-[2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
PubChem CID23657430
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name2-[2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
SMILESc1cc2cc(CCCCCc3cc4ccc(C5=NCCN5)cc4o3)oc2cc1C1=NCCN1
InChIInChI=1S/C27H28N4O2/c1(2-4-22-14-18-6-8-20(16-24(18)32-22)26-28-10-11-29-26)3-5-23-15-19-7-9-21(17-25(19)33-23)27-30-12-13-31-27/h6-9,14-17H,1-5,10-13H2,(H,28,29)(H,30,31)
InChIKeyWRSINMJRUCRXEG-UHFFFAOYSA-N
XLogP4.83
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.83
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-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole (CID 23657430) is 2-[2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole is c1cc2cc(CCCCCc3cc4ccc(C5=NCCN5)cc4o3)oc2cc1C1=NCCN1.
What is the InChIKey of 2-[2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is WRSINMJRUCRXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1(2-4-22-14-18-6-8-20(16-24(18)32-22)26-28-10-11-29-26)3-5-23-15-19-7-9-21(17-25(19)33-23)27-30-12-13-31-27/h6-9,14-17H,1-5,10-13H2,(H,28,29)(H,30,31).
What are the key properties of 2-[2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole?
2-[2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 440.55 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 23657430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).