4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one

C14H13N3O — CID 138388242

IUPAC4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1c1cccc2ccccc12
InChIInChI=1S/C14H13N3O/c1-17-12(13(15)16-14(17)18)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3,(H2,15,16,18)
InChIKeyURHZQWRAITYCLD-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.51
Rot. Bonds1

About 4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one

4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one (PubChem CID 138388242) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one
PubChem CID138388242
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1c1cccc2ccccc12
InChIInChI=1S/C14H13N3O/c1-17-12(13(15)16-14(17)18)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3,(H2,15,16,18)
InChIKeyURHZQWRAITYCLD-UHFFFAOYSA-N
XLogP2.51
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1-(1-methylpyrrolidin-3-yl)-3-(naphthalen-1-ylmethyl)urea
CID 172436630
1-[1-(Naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidin-2-one
CID 134791093
1-(a-Naphthyl)ethyl urea
CID 19996302
(r)-Naphthylethylurea
CID 70796270
4-(1-Naphthyl)-2-imidazolidinone
CID 116855877
5-(3,4-Difluorophenyl)-4-imino-1-methylimidazolidin-2-one
CID 138388361
N-(3-fluorobut-3-enyl)-2-imino-5-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 170593003
1-But-3-enyl-3-(1-naphthalen-1-ylethyl)-1-propan-2-ylurea
CID 85872445
1-(Methoxycarbonyl)-5-(1-naphthyl)-2-imidazolidinone
CID 129879276
N-(1-naphthalen-2-ylprop-2-enyl)pyrrolidine-1-carboxamide
CID 138976659
5-(3-Fluorophenyl)-4-imino-1-propylimidazolidin-2-one
CID 138388301
4-(4-Fluoro-3-methylphenyl)-5-iminoimidazolidin-2-one
CID 138388366

Frequently Asked Questions

What is the IUPAC name of 4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one?
The IUPAC name of 4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one (CID 138388242) is 4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one.
What is the SMILES notation for 4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one?
The canonical SMILES for 4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one is [H]/N=C1\NC(=O)N(C)C1c1cccc2ccccc12.
What is the InChIKey of 4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one?
The InChIKey is URHZQWRAITYCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-17-12(13(15)16-14(17)18)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3,(H2,15,16,18).
What are the key properties of 4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one?
4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one has a molecular weight of 239.28 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one is sourced from PubChem (CID 138388242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).