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'}

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Related Compounds

4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one
CID 138388367
4-(3-chloro-4-methoxyphenyl)-5-iminoimidazolidin-2-one
CID 138389292
methyl (4S)-4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8810966
(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one
CID 171185502
4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one
CID 138389204
4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
CID 138389471
(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride
CID 171196650
2-cyclopentyl-6-methoxynaphthalene
CID 67100251
4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one
CID 138391344
(5R)-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 94042985
5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 42651997
(5R)-5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 29134316

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).