2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole

C20H18N4O — CID 11472976

IUPAC2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole
SMILESc1cc(C2=NCCN2)cc(-c2cc3cc(C4=NCCN4)ccc3o2)c1
InChIInChI=1S/C20H18N4O/c1-2-13(10-14(3-1)19-21-6-7-22-19)18-12-16-11-15(4-5-17(16)25-18)20-23-8-9-24-20/h1-5,10-12H,6-9H2,(H,21,22)(H,23,24)
InChIKeyMSIRXLSBCLZJLX-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.80
Rot. Bonds3

About 2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole

2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 11472976) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID11472976
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole
SMILESc1cc(C2=NCCN2)cc(-c2cc3cc(C4=NCCN4)ccc3o2)c1
InChIInChI=1S/C20H18N4O/c1-2-13(10-14(3-1)19-21-6-7-22-19)18-12-16-11-15(4-5-17(16)25-18)20-23-8-9-24-20/h1-5,10-12H,6-9H2,(H,21,22)(H,23,24)
InChIKeyMSIRXLSBCLZJLX-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-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole (CID 11472976) is 2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole is c1cc(C2=NCCN2)cc(-c2cc3cc(C4=NCCN4)ccc3o2)c1.
What is the InChIKey of 2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is MSIRXLSBCLZJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-13(10-14(3-1)19-21-6-7-22-19)18-12-16-11-15(4-5-17(16)25-18)20-23-8-9-24-20/h1-5,10-12H,6-9H2,(H,21,22)(H,23,24).
What are the key properties of 2-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
2-[3-[5-(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-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11472976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).