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

C12H14N4O — CID 138389471

IUPAC4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1c1ccc2c(c1)CCN2C
InChIInChI=1S/C12H14N4O/c1-16-5-4-7-6-8(2-3-9(7)16)10-11(13)15-12(17)14-10/h2-3,6,10H,4-5H2,1H3,(H3,13,14,15,17)
InChIKeyLNKKYUPDPQLDQU-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.01
Rot. Bonds1

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

4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one (PubChem CID 138389471) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one.

Molecular Properties

Compound Name4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
PubChem CID138389471
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1c1ccc2c(c1)CCN2C
InChIInChI=1S/C12H14N4O/c1-16-5-4-7-6-8(2-3-9(7)16)10-11(13)15-12(17)14-10/h2-3,6,10H,4-5H2,1H3,(H3,13,14,15,17)
InChIKeyLNKKYUPDPQLDQU-UHFFFAOYSA-N
XLogP1.01
TPSA68.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one?
The IUPAC name of 4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one (CID 138389471) is 4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one.
What is the SMILES notation for 4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one?
The canonical SMILES for 4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one is [H]/N=C1\NC(=O)NC1c1ccc2c(c1)CCN2C.
What is the InChIKey of 4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one?
The InChIKey is LNKKYUPDPQLDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-5-4-7-6-8(2-3-9(7)16)10-11(13)15-12(17)14-10/h2-3,6,10H,4-5H2,1H3,(H3,13,14,15,17).
What are the key properties of 4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one?
4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one is sourced from PubChem (CID 138389471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).