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

C20H18N4O — CID 11313500

IUPAC2-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole
SMILESc1cc(-c2cc3ccc(C4=NCCN4)cc3o2)ccc1C1=NCCN1
InChIInChI=1S/C20H18N4O/c1-3-14(19-21-7-8-22-19)4-2-13(1)17-11-15-5-6-16(12-18(15)25-17)20-23-9-10-24-20/h1-6,11-12H,7-10H2,(H,21,22)(H,23,24)
InChIKeyHSDZAZKLHUEPGE-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.80
Rot. Bonds3

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

2-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 11313500) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID11313500
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole
SMILESc1cc(-c2cc3ccc(C4=NCCN4)cc3o2)ccc1C1=NCCN1
InChIInChI=1S/C20H18N4O/c1-3-14(19-21-7-8-22-19)4-2-13(1)17-11-15-5-6-16(12-18(15)25-17)20-23-9-10-24-20/h1-6,11-12H,7-10H2,(H,21,22)(H,23,24)
InChIKeyHSDZAZKLHUEPGE-UHFFFAOYSA-N
XLogP2.80
TPSA61.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole (CID 11313500) is 2-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole is c1cc(-c2cc3ccc(C4=NCCN4)cc3o2)ccc1C1=NCCN1.
What is the InChIKey of 2-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is HSDZAZKLHUEPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-3-14(19-21-7-8-22-19)4-2-13(1)17-11-15-5-6-16(12-18(15)25-17)20-23-9-10-24-20/h1-6,11-12H,7-10H2,(H,21,22)(H,23,24).
What are the key properties of 2-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
2-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 330.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11313500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).