4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one

C14H13N3O2 — CID 138388376

IUPAC4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C14H13N3O2/c1-19-11-5-4-8-6-10(3-2-9(8)7-11)12-13(15)17-14(18)16-12/h2-7,12H,1H3,(H3,15,16,17,18)
InChIKeyLSAXFSUFTSHDNG-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.18
Rot. Bonds2

About 4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one

4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one (PubChem CID 138388376) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one
PubChem CID138388376
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C14H13N3O2/c1-19-11-5-4-8-6-10(3-2-9(8)7-11)12-13(15)17-14(18)16-12/h2-7,12H,1H3,(H3,15,16,17,18)
InChIKeyLSAXFSUFTSHDNG-UHFFFAOYSA-N
XLogP2.18
TPSA74.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-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-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one?
The IUPAC name of 4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one (CID 138388376) is 4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one.
What is the SMILES notation for 4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one?
The canonical SMILES for 4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one is [H]/N=C1\NC(=O)NC1c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one?
The InChIKey is LSAXFSUFTSHDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-19-11-5-4-8-6-10(3-2-9(8)7-11)12-13(15)17-14(18)16-12/h2-7,12H,1H3,(H3,15,16,17,18).
What are the key properties of 4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one?
4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one has a molecular weight of 255.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one is sourced from PubChem (CID 138388376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).