4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide

C22H17FN4O2 — CID 55379419

IUPAC4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C22H17FN4O2/c23-17-9-5-15(6-10-17)13-21(28)25-26-22(29)16-7-11-18(12-8-16)27-14-24-19-3-1-2-4-20(19)27/h1-12,14H,13H2,(H,25,28)(H,26,29)
InChIKeyYTEUTTKBSQSECR-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.17
Rot. Bonds4

About 4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide

4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide (PubChem CID 55379419) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide
PubChem CID55379419
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C22H17FN4O2/c23-17-9-5-15(6-10-17)13-21(28)25-26-22(29)16-7-11-18(12-8-16)27-14-24-19-3-1-2-4-20(19)27/h1-12,14H,13H2,(H,25,28)(H,26,29)
InChIKeyYTEUTTKBSQSECR-UHFFFAOYSA-N
XLogP3.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.17
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 4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide?
The IUPAC name of 4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide (CID 55379419) is 4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide?
The InChIKey is YTEUTTKBSQSECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-17-9-5-15(6-10-17)13-21(28)25-26-22(29)16-7-11-18(12-8-16)27-14-24-19-3-1-2-4-20(19)27/h1-12,14H,13H2,(H,25,28)(H,26,29).
What are the key properties of 4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide?
4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide has a molecular weight of 388.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide is sourced from PubChem (CID 55379419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).