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

C23H20N4O2 — CID 11292047

IUPAC2-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
SMILESc1cc2cc(Cc3cc4ccc(C5=NCCN5)cc4o3)oc2cc1C1=NCCN1
InChIInChI=1S/C23H20N4O2/c1-3-16(22-24-5-6-25-22)11-20-14(1)9-18(28-20)13-19-10-15-2-4-17(12-21(15)29-19)23-26-7-8-27-23/h1-4,9-12H,5-8,13H2,(H,24,25)(H,26,27)
InChIKeyHZIMLABTEQNOLN-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.47
Rot. Bonds4

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

2-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole (PubChem CID 11292047) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
PubChem CID11292047
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
SMILESc1cc2cc(Cc3cc4ccc(C5=NCCN5)cc4o3)oc2cc1C1=NCCN1
InChIInChI=1S/C23H20N4O2/c1-3-16(22-24-5-6-25-22)11-20-14(1)9-18(28-20)13-19-10-15-2-4-17(12-21(15)29-19)23-26-7-8-27-23/h1-4,9-12H,5-8,13H2,(H,24,25)(H,26,27)
InChIKeyHZIMLABTEQNOLN-UHFFFAOYSA-N
XLogP3.47
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole (CID 11292047) is 2-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole is c1cc2cc(Cc3cc4ccc(C5=NCCN5)cc4o3)oc2cc1C1=NCCN1.
What is the InChIKey of 2-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is HZIMLABTEQNOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-3-16(22-24-5-6-25-22)11-20-14(1)9-18(28-20)13-19-10-15-2-4-17(12-21(15)29-19)23-26-7-8-27-23/h1-4,9-12H,5-8,13H2,(H,24,25)(H,26,27).
What are the key properties of 2-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole?
2-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 384.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11292047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).