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

C24H22N4O2 — CID 11292453

IUPAC2-[2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
SMILESc1cc2cc(CCc3cc4ccc(C5=NCCN5)cc4o3)oc2cc1C1=NCCN1
InChIInChI=1S/C24H22N4O2/c1-3-17(23-25-7-8-26-23)13-21-15(1)11-19(29-21)5-6-20-12-16-2-4-18(14-22(16)30-20)24-27-9-10-28-24/h1-4,11-14H,5-10H2,(H,25,26)(H,27,28)
InChIKeyASWKNPCNHVDPPH-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.66
Rot. Bonds5

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

2-[2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole (PubChem CID 11292453) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
PubChem CID11292453
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name2-[2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
SMILESc1cc2cc(CCc3cc4ccc(C5=NCCN5)cc4o3)oc2cc1C1=NCCN1
InChIInChI=1S/C24H22N4O2/c1-3-17(23-25-7-8-26-23)13-21-15(1)11-19(29-21)5-6-20-12-16-2-4-18(14-22(16)30-20)24-27-9-10-28-24/h1-4,11-14H,5-10H2,(H,25,26)(H,27,28)
InChIKeyASWKNPCNHVDPPH-UHFFFAOYSA-N
XLogP3.66
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole (CID 11292453) is 2-[2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole is c1cc2cc(CCc3cc4ccc(C5=NCCN5)cc4o3)oc2cc1C1=NCCN1.
What is the InChIKey of 2-[2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is ASWKNPCNHVDPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-3-17(23-25-7-8-26-23)13-21-15(1)11-19(29-21)5-6-20-12-16-2-4-18(14-22(16)30-20)24-27-9-10-28-24/h1-4,11-14H,5-10H2,(H,25,26)(H,27,28).
What are the key properties of 2-[2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole?
2-[2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 398.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11292453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).