2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole

C29H32N4O4 — CID 23655736

IUPAC2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole
SMILESCOc1cc(C2=NCCN2)cc2cc(CCCCCc3cc4cc(C5=NCCN5)cc(OC)c4o3)oc12
InChIInChI=1S/C29H32N4O4/c1-34-24-16-20(28-30-8-9-31-28)12-18-14-22(36-26(18)24)6-4-3-5-7-23-15-19-13-21(29-32-10-11-33-29)17-25(35-2)27(19)37-23/h12-17H,3-11H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyUTCBWISHPJMQAY-UHFFFAOYSA-N
MW500.60 g/mol
LogP4.85
Rot. Bonds10

About 2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole

2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole (PubChem CID 23655736) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole
PubChem CID23655736
Molecular FormulaC29H32N4O4
Molecular Weight500.60 g/mol
Exact Mass500.24
IUPAC Name2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole
SMILESCOc1cc(C2=NCCN2)cc2cc(CCCCCc3cc4cc(C5=NCCN5)cc(OC)c4o3)oc12
InChIInChI=1S/C29H32N4O4/c1-34-24-16-20(28-30-8-9-31-28)12-18-14-22(36-26(18)24)6-4-3-5-7-23-15-19-13-21(29-32-10-11-33-29)17-25(35-2)27(19)37-23/h12-17H,3-11H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyUTCBWISHPJMQAY-UHFFFAOYSA-N
XLogP4.85
TPSA93.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole (CID 23655736) is 2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-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)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole is COc1cc(C2=NCCN2)cc2cc(CCCCCc3cc4cc(C5=NCCN5)cc(OC)c4o3)oc12.
What is the InChIKey of 2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is UTCBWISHPJMQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-34-24-16-20(28-30-8-9-31-28)12-18-14-22(36-26(18)24)6-4-3-5-7-23-15-19-13-21(29-32-10-11-33-29)17-25(35-2)27(19)37-23/h12-17H,3-11H2,1-2H3,(H,30,31)(H,32,33).
What are the key properties of 2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole?
2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 500.60 g/mol, XLogP of 4.85, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]pentyl]-7-methoxy-1-benzofuran-5-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 23655736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).