9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline

C20H17N3O2 — CID 162754940

IUPAC9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline
SMILESCc1c2ccncc2cc2c1oc1ccc(OCC3=NCCN3)cc12
InChIInChI=1S/C20H17N3O2/c1-12-15-4-5-21-10-13(15)8-17-16-9-14(2-3-18(16)25-20(12)17)24-11-19-22-6-7-23-19/h2-5,8-10H,6-7,11H2,1H3,(H,22,23)
InChIKeyWAVZKIZKIHIYGC-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.82
Rot. Bonds3

About 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline

9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline (PubChem CID 162754940) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline.

Molecular Properties

Compound Name9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline
PubChem CID162754940
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline
SMILESCc1c2ccncc2cc2c1oc1ccc(OCC3=NCCN3)cc12
InChIInChI=1S/C20H17N3O2/c1-12-15-4-5-21-10-13(15)8-17-16-9-14(2-3-18(16)25-20(12)17)24-11-19-22-6-7-23-19/h2-5,8-10H,6-7,11H2,1H3,(H,22,23)
InChIKeyWAVZKIZKIHIYGC-UHFFFAOYSA-N
XLogP3.82
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline?
The IUPAC name of 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline (CID 162754940) is 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline.
What is the SMILES notation for 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline?
The canonical SMILES for 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline is Cc1c2ccncc2cc2c1oc1ccc(OCC3=NCCN3)cc12.
What is the InChIKey of 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline?
The InChIKey is WAVZKIZKIHIYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12-15-4-5-21-10-13(15)8-17-16-9-14(2-3-18(16)25-20(12)17)24-11-19-22-6-7-23-19/h2-5,8-10H,6-7,11H2,1H3,(H,22,23).
What are the key properties of 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline?
9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline has a molecular weight of 331.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline is sourced from PubChem (CID 162754940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).