[3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate

C15H18N4O2 — CID 70619508

IUPAC[3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate
SMILESCC(=O)Oc1ccc(C)c2c1C(=NNC1=NCCN1)CC2
InChIInChI=1S/C15H18N4O2/c1-9-3-6-13(21-10(2)20)14-11(9)4-5-12(14)18-19-15-16-7-8-17-15/h3,6H,4-5,7-8H2,1-2H3,(H2,16,17,19)
InChIKeyPXPRUFDJWGBACB-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.12
Rot. Bonds2

About [3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate

[3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate (PubChem CID 70619508) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is [3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate.

Molecular Properties

Compound Name[3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate
PubChem CID70619508
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name[3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate
SMILESCC(=O)Oc1ccc(C)c2c1C(=NNC1=NCCN1)CC2
InChIInChI=1S/C15H18N4O2/c1-9-3-6-13(21-10(2)20)14-11(9)4-5-12(14)18-19-15-16-7-8-17-15/h3,6H,4-5,7-8H2,1-2H3,(H2,16,17,19)
InChIKeyPXPRUFDJWGBACB-UHFFFAOYSA-N
XLogP1.12
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate 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 [3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate?
The IUPAC name of [3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate (CID 70619508) is [3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate.
What is the SMILES notation for [3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate?
The canonical SMILES for [3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate is CC(=O)Oc1ccc(C)c2c1C(=NNC1=NCCN1)CC2.
What is the InChIKey of [3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate?
The InChIKey is PXPRUFDJWGBACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-3-6-13(21-10(2)20)14-11(9)4-5-12(14)18-19-15-16-7-8-17-15/h3,6H,4-5,7-8H2,1-2H3,(H2,16,17,19).
What are the key properties of [3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate?
[3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate has a molecular weight of 286.34 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate is sourced from PubChem (CID 70619508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).