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

C12H13FN4O2 — CID 107459017

IUPAC4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide
SMILESCn1ccn(Cc2cc(C(=O)NN)ccc2F)c1=O
InChIInChI=1S/C12H13FN4O2/c1-16-4-5-17(12(16)19)7-9-6-8(11(18)15-14)2-3-10(9)13/h2-6H,7,14H2,1H3,(H,15,18)
InChIKeyWBXVFBBBKNHNRM-UHFFFAOYSA-N
MW264.26 g/mol
LogP-0.02
Rot. Bonds3

About 4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide

4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide (PubChem CID 107459017) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide
PubChem CID107459017
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide
SMILESCn1ccn(Cc2cc(C(=O)NN)ccc2F)c1=O
InChIInChI=1S/C12H13FN4O2/c1-16-4-5-17(12(16)19)7-9-6-8(11(18)15-14)2-3-10(9)13/h2-6H,7,14H2,1H3,(H,15,18)
InChIKeyWBXVFBBBKNHNRM-UHFFFAOYSA-N
XLogP-0.02
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 5-0.02
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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Related Compounds

3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107459005
2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide
CID 80582908
3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458852
3-[(5-chloro-2,4-dioxopyrimidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107459004
5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide
CID 80582837
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458944
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one
CID 116624451
4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]benzohydrazide
CID 63582046
3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide
CID 107458745
3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458460

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide?
The IUPAC name of 4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide (CID 107459017) is 4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide?
The canonical SMILES for 4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide is Cn1ccn(Cc2cc(C(=O)NN)ccc2F)c1=O.
What is the InChIKey of 4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide?
The InChIKey is WBXVFBBBKNHNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-16-4-5-17(12(16)19)7-9-6-8(11(18)15-14)2-3-10(9)13/h2-6H,7,14H2,1H3,(H,15,18).
What are the key properties of 4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide?
4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide has a molecular weight of 264.26 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 107459017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).