2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide

C17H14F2N4O2 — CID 4787678

IUPAC2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
SMILESCn1c(CC(=O)NNC(=O)c2ccc(F)cc2F)nc2ccccc21
InChIInChI=1S/C17H14F2N4O2/c1-23-14-5-3-2-4-13(14)20-15(23)9-16(24)21-22-17(25)11-7-6-10(18)8-12(11)19/h2-8H,9H2,1H3,(H,21,24)(H,22,25)
InChIKeyRVSAFIZRTYWTRK-UHFFFAOYSA-N
MW344.32 g/mol
LogP1.86
Rot. Bonds3

About 2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide

2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide (PubChem CID 4787678) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
PubChem CID4787678
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
SMILESCn1c(CC(=O)NNC(=O)c2ccc(F)cc2F)nc2ccccc21
InChIInChI=1S/C17H14F2N4O2/c1-23-14-5-3-2-4-13(14)20-15(23)9-16(24)21-22-17(25)11-7-6-10(18)8-12(11)19/h2-8H,9H2,1H3,(H,21,24)(H,22,25)
InChIKeyRVSAFIZRTYWTRK-UHFFFAOYSA-N
XLogP1.86
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide?
The IUPAC name of 2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide (CID 4787678) is 2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide?
The canonical SMILES for 2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide is Cn1c(CC(=O)NNC(=O)c2ccc(F)cc2F)nc2ccccc21.
What is the InChIKey of 2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide?
The InChIKey is RVSAFIZRTYWTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-23-14-5-3-2-4-13(14)20-15(23)9-16(24)21-22-17(25)11-7-6-10(18)8-12(11)19/h2-8H,9H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide?
2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide has a molecular weight of 344.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide is sourced from PubChem (CID 4787678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).