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

C14H18N4O3 — CID 80580698

IUPAC2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide
SMILESCCn1ccn(CCOc2ccccc2C(=O)NN)c1=O
InChIInChI=1S/C14H18N4O3/c1-2-17-7-8-18(14(17)20)9-10-21-12-6-4-3-5-11(12)13(19)16-15/h3-8H,2,9-10,15H2,1H3,(H,16,19)
InChIKeyZMOVJWSPGCRXFO-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.35
Rot. Bonds6

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

2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide (PubChem CID 80580698) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide
PubChem CID80580698
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide
SMILESCCn1ccn(CCOc2ccccc2C(=O)NN)c1=O
InChIInChI=1S/C14H18N4O3/c1-2-17-7-8-18(14(17)20)9-10-21-12-6-4-3-5-11(12)13(19)16-15/h3-8H,2,9-10,15H2,1H3,(H,16,19)
InChIKeyZMOVJWSPGCRXFO-UHFFFAOYSA-N
XLogP0.35
TPSA91.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.35
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'}

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Related Compounds

2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide
CID 80582813
2-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]benzenecarbothioamide
CID 80579353
2-pentoxybenzohydrazide
CID 54793215
2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63578943
1-ethyl-3-(2-phenoxyethyl)imidazol-2-one
CID 116624118
1-[2-(2-methoxyphenoxy)ethyl]-3-propylimidazol-2-one
CID 116624789
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
1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one
CID 80579090
2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63571903
1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one
CID 80580045

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide?
The IUPAC name of 2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide (CID 80580698) is 2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide.
What is the SMILES notation for 2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide?
The canonical SMILES for 2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide is CCn1ccn(CCOc2ccccc2C(=O)NN)c1=O.
What is the InChIKey of 2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide?
The InChIKey is ZMOVJWSPGCRXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-2-17-7-8-18(14(17)20)9-10-21-12-6-4-3-5-11(12)13(19)16-15/h3-8H,2,9-10,15H2,1H3,(H,16,19).
What are the key properties of 2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide?
2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide has a molecular weight of 290.32 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide is sourced from PubChem (CID 80580698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).