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

C12H14N4O2 — CID 80582908

IUPAC2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide
SMILESCn1ccn(Cc2ccccc2C(=O)NN)c1=O
InChIInChI=1S/C12H14N4O2/c1-15-6-7-16(12(15)18)8-9-4-2-3-5-10(9)11(17)14-13/h2-7H,8,13H2,1H3,(H,14,17)
InChIKeyZXZUYARTARQIKV-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.16
Rot. Bonds3

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

2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide (PubChem CID 80582908) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide
PubChem CID80582908
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide
SMILESCn1ccn(Cc2ccccc2C(=O)NN)c1=O
InChIInChI=1S/C12H14N4O2/c1-15-6-7-16(12(15)18)8-9-4-2-3-5-10(9)11(17)14-13/h2-7H,8,13H2,1H3,(H,14,17)
InChIKeyZXZUYARTARQIKV-UHFFFAOYSA-N
XLogP-0.16
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide?
The IUPAC name of 2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide (CID 80582908) is 2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide?
The canonical SMILES for 2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide is Cn1ccn(Cc2ccccc2C(=O)NN)c1=O.
What is the InChIKey of 2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide?
The InChIKey is ZXZUYARTARQIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-15-6-7-16(12(15)18)8-9-4-2-3-5-10(9)11(17)14-13/h2-7H,8,13H2,1H3,(H,14,17).
What are the key properties of 2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide?
2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide has a molecular weight of 246.27 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 80582908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).