4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one

C15H19N3O2 — CID 79968231

IUPAC4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
SMILESCOCCN1C(=O)N=C(N)C12CCc1ccccc1C2
InChIInChI=1S/C15H19N3O2/c1-20-9-8-18-14(19)17-13(16)15(18)7-6-11-4-2-3-5-12(11)10-15/h2-5H,6-10H2,1H3,(H2,16,17,19)
InChIKeyLRJVPVCHYKDMAN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.35
Rot. Bonds3

About 4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one

4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one (PubChem CID 79968231) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
PubChem CID79968231
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
SMILESCOCCN1C(=O)N=C(N)C12CCc1ccccc1C2
InChIInChI=1S/C15H19N3O2/c1-20-9-8-18-14(19)17-13(16)15(18)7-6-11-4-2-3-5-12(11)10-15/h2-5H,6-10H2,1H3,(H2,16,17,19)
InChIKeyLRJVPVCHYKDMAN-UHFFFAOYSA-N
XLogP1.35
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one (CID 79968231) is 4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one is COCCN1C(=O)N=C(N)C12CCc1ccccc1C2.
What is the InChIKey of 4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one?
The InChIKey is LRJVPVCHYKDMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-9-8-18-14(19)17-13(16)15(18)7-6-11-4-2-3-5-12(11)10-15/h2-5H,6-10H2,1H3,(H2,16,17,19).
What are the key properties of 4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one?
4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one has a molecular weight of 273.34 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one is sourced from PubChem (CID 79968231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).