1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one

C14H18N4O — CID 138389849

IUPAC1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1ccc2c(c1)CCN2C
InChIInChI=1S/C14H18N4O/c1-3-18-12(13(15)16-14(18)19)10-4-5-11-9(8-10)6-7-17(11)2/h4-5,8,12H,3,6-7H2,1-2H3,(H2,15,16,19)
InChIKeyLCYSBGWUYPBLLR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.74
Rot. Bonds2

About 1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one

1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one (PubChem CID 138389849) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
PubChem CID138389849
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1ccc2c(c1)CCN2C
InChIInChI=1S/C14H18N4O/c1-3-18-12(13(15)16-14(18)19)10-4-5-11-9(8-10)6-7-17(11)2/h4-5,8,12H,3,6-7H2,1-2H3,(H2,15,16,19)
InChIKeyLCYSBGWUYPBLLR-UHFFFAOYSA-N
XLogP1.74
TPSA59.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-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 1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one?
The IUPAC name of 1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one (CID 138389849) is 1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one?
The canonical SMILES for 1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(CC)C1c1ccc2c(c1)CCN2C.
What is the InChIKey of 1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one?
The InChIKey is LCYSBGWUYPBLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-18-12(13(15)16-14(18)19)10-4-5-11-9(8-10)6-7-17(11)2/h4-5,8,12H,3,6-7H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one?
1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one is sourced from PubChem (CID 138389849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).