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

C27H28N4O2 — CID 11408055

IUPAC2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole
SMILESc1cc2oc(CCCCCc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1
InChIInChI=1S/C27H28N4O2/c1(2-4-22-16-20-14-18(6-8-24(20)32-22)26-28-10-11-29-26)3-5-23-17-21-15-19(7-9-25(21)33-23)27-30-12-13-31-27/h6-9,14-17H,1-5,10-13H2,(H,28,29)(H,30,31)
InChIKeyGDMJNPJHFYKMAV-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.83
Rot. Bonds8

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

2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole (PubChem CID 11408055) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole
PubChem CID11408055
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole
SMILESc1cc2oc(CCCCCc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1
InChIInChI=1S/C27H28N4O2/c1(2-4-22-16-20-14-18(6-8-24(20)32-22)26-28-10-11-29-26)3-5-23-17-21-15-19(7-9-25(21)33-23)27-30-12-13-31-27/h6-9,14-17H,1-5,10-13H2,(H,28,29)(H,30,31)
InChIKeyGDMJNPJHFYKMAV-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole (CID 11408055) is 2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole is c1cc2oc(CCCCCc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1.
What is the InChIKey of 2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is GDMJNPJHFYKMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1(2-4-22-16-20-14-18(6-8-24(20)32-22)26-28-10-11-29-26)3-5-23-17-21-15-19(7-9-25(21)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-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-5-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-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11408055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).