3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide

C12H15BrN4O2 — CID 102774826

IUPAC3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide
SMILESCN1CCN(Cc2ccc(C(=O)NN)cc2Br)C1=O
InChIInChI=1S/C12H15BrN4O2/c1-16-4-5-17(12(16)19)7-9-3-2-8(6-10(9)13)11(18)15-14/h2-3,6H,4-5,7,14H2,1H3,(H,15,18)
InChIKeyBEBUGBFHZWGMOE-UHFFFAOYSA-N
MW327.18 g/mol
LogP0.92
Rot. Bonds3

About 3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide

3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide (PubChem CID 102774826) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide
PubChem CID102774826
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Name3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide
SMILESCN1CCN(Cc2ccc(C(=O)NN)cc2Br)C1=O
InChIInChI=1S/C12H15BrN4O2/c1-16-4-5-17(12(16)19)7-9-3-2-8(6-10(9)13)11(18)15-14/h2-3,6H,4-5,7,14H2,1H3,(H,15,18)
InChIKeyBEBUGBFHZWGMOE-UHFFFAOYSA-N
XLogP0.92
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one
CID 62490636
3-bromo-4-[(2-oxopiperidin-1-yl)methyl]benzohydrazide
CID 102774809
4-(azocan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774506
4-(azepan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774488
3-bromo-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]benzohydrazide
CID 102774778
3-bromo-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide
CID 102774583
3-bromo-4-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide
CID 102774867
3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide
CID 102774559
3-bromo-4-[(3-methylthiomorpholin-4-yl)methyl]benzohydrazide
CID 102774702
3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide
CID 102774701
3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide
CID 102774824
1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one
CID 62490122

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide?
The IUPAC name of 3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide (CID 102774826) is 3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide?
The canonical SMILES for 3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide is CN1CCN(Cc2ccc(C(=O)NN)cc2Br)C1=O.
What is the InChIKey of 3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide?
The InChIKey is BEBUGBFHZWGMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-16-4-5-17(12(16)19)7-9-3-2-8(6-10(9)13)11(18)15-14/h2-3,6H,4-5,7,14H2,1H3,(H,15,18).
What are the key properties of 3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide?
3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide has a molecular weight of 327.18 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 102774826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).