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

C21H20N4O2 — CID 11428372

IUPAC2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1cc(C2=NCCN2)cc2cc(-c3ccc(C4=NCCN4)cc3)oc12
InChIInChI=1S/C21H20N4O2/c1-26-18-12-16(21-24-8-9-25-21)10-15-11-17(27-19(15)18)13-2-4-14(5-3-13)20-22-6-7-23-20/h2-5,10-12H,6-9H2,1H3,(H,22,23)(H,24,25)
InChIKeySCGRUHAJSQVIGC-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.81
Rot. Bonds4

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

2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 11428372) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID11428372
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1cc(C2=NCCN2)cc2cc(-c3ccc(C4=NCCN4)cc3)oc12
InChIInChI=1S/C21H20N4O2/c1-26-18-12-16(21-24-8-9-25-21)10-15-11-17(27-19(15)18)13-2-4-14(5-3-13)20-22-6-7-23-20/h2-5,10-12H,6-9H2,1H3,(H,22,23)(H,24,25)
InChIKeySCGRUHAJSQVIGC-UHFFFAOYSA-N
XLogP2.81
TPSA71.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole (CID 11428372) is 2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole is COc1cc(C2=NCCN2)cc2cc(-c3ccc(C4=NCCN4)cc3)oc12.
What is the InChIKey of 2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is SCGRUHAJSQVIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-26-18-12-16(21-24-8-9-25-21)10-15-11-17(27-19(15)18)13-2-4-14(5-3-13)20-22-6-7-23-20/h2-5,10-12H,6-9H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 360.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11428372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).