2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide

C13H16N4O3 — CID 80582813

IUPAC2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide
SMILESCn1ccn(CCOc2ccccc2C(=O)NN)c1=O
InChIInChI=1S/C13H16N4O3/c1-16-6-7-17(13(16)19)8-9-20-11-5-3-2-4-10(11)12(18)15-14/h2-7H,8-9,14H2,1H3,(H,15,18)
InChIKeyFQPWBZNZWPJBBR-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.13
Rot. Bonds5

About 2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide

2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide (PubChem CID 80582813) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide
PubChem CID80582813
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide
SMILESCn1ccn(CCOc2ccccc2C(=O)NN)c1=O
InChIInChI=1S/C13H16N4O3/c1-16-6-7-17(13(16)19)8-9-20-11-5-3-2-4-10(11)12(18)15-14/h2-7H,8-9,14H2,1H3,(H,15,18)
InChIKeyFQPWBZNZWPJBBR-UHFFFAOYSA-N
XLogP-0.13
TPSA91.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide
CID 80580698
1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one
CID 80579090
2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide
CID 80582908
2-pentoxybenzohydrazide
CID 54793215
2-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]benzenecarbothioamide
CID 80579353
2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63578943
2-[2-(2-iodophenoxy)ethoxy]benzohydrazide
CID 63570332
2-[2-(2-methyl-3-oxopiperazin-1-yl)ethoxy]benzohydrazide
CID 63605840
2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide
CID 103358703
2-methoxybenzohydrazide
CID 24051
2-(2-prop-2-enoxyethoxy)benzohydrazide
CID 63576125
2-[2-(2-methylmorpholin-4-yl)ethoxy]benzohydrazide
CID 63569013

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide?
The IUPAC name of 2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide (CID 80582813) is 2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide.
What is the SMILES notation for 2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide?
The canonical SMILES for 2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide is Cn1ccn(CCOc2ccccc2C(=O)NN)c1=O.
What is the InChIKey of 2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide?
The InChIKey is FQPWBZNZWPJBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-16-6-7-17(13(16)19)8-9-20-11-5-3-2-4-10(11)12(18)15-14/h2-7H,8-9,14H2,1H3,(H,15,18).
What are the key properties of 2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide?
2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide has a molecular weight of 276.30 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide is sourced from PubChem (CID 80582813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).