1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one

C25H29N3O3 — CID 22344067

About 1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one

1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one (PubChem CID 22344067) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one
• PubChem CID: 22344067
• Molecular Formula: C25H29N3O3
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.22
• IUPAC Name: 1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one
• SMILES: COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(N3CCNC3=O)c1)=NC(C)(C)C2
• InChI: InChI=1S/C25H29N3O3/c1-24(2)13-16-12-19(30-5)22-18(14-25(3,4)31-22)20(16)21(27-24)15-7-6-8-17(11-15)28-10-9-26-23(28)29/h6-8,11-12H,9-10,13-14H2,1-5H3,(H,26,29)
• InChIKey: JNMMDFZOTXXERH-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 63.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one?

The IUPAC name of 1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one (CID 22344067) is 1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one.

What is the SMILES notation for 1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one?

The canonical SMILES for 1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one is COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(N3CCNC3=O)c1)=NC(C)(C)C2.

What is the InChIKey of 1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one?

The InChIKey is JNMMDFZOTXXERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-24(2)13-16-12-19(30-5)22-18(14-25(3,4)31-22)20(16)21(27-24)15-7-6-8-17(11-15)28-10-9-26-23(28)29/h6-8,11-12H,9-10,13-14H2,1-5H3,(H,26,29).

What are the key properties of 1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one?

1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one has a molecular weight of 419.53 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 22344067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).