N'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide

C18H14F2N4O3 — CID 9418545

IUPACN'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
SMILESO=C(COc1ccc(F)cc1)NNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C18H14F2N4O3/c19-12-1-5-14(6-2-12)24-11-21-9-16(24)18(26)23-22-17(25)10-27-15-7-3-13(20)4-8-15/h1-9,11H,10H2,(H,22,25)(H,23,26)
InChIKeyWOSMSVQRGHUHRF-UHFFFAOYSA-N
MW372.33 g/mol
LogP1.99
Rot. Bonds5

About N'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide

N'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide (PubChem CID 9418545) has the molecular formula C18H14F2N4O3 and a molecular weight of 372.33 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
PubChem CID9418545
Molecular FormulaC18H14F2N4O3
Molecular Weight372.33 g/mol
Exact Mass372.10
IUPAC NameN'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
SMILESO=C(COc1ccc(F)cc1)NNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C18H14F2N4O3/c19-12-1-5-14(6-2-12)24-11-21-9-16(24)18(26)23-22-17(25)10-27-15-7-3-13(20)4-8-15/h1-9,11H,10H2,(H,22,25)(H,23,26)
InChIKeyWOSMSVQRGHUHRF-UHFFFAOYSA-N
XLogP1.99
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide (CID 9418545) is N'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide is O=C(COc1ccc(F)cc1)NNC(=O)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of N'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The InChIKey is WOSMSVQRGHUHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O3/c19-12-1-5-14(6-2-12)24-11-21-9-16(24)18(26)23-22-17(25)10-27-15-7-3-13(20)4-8-15/h1-9,11H,10H2,(H,22,25)(H,23,26).
What are the key properties of N'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
N'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide has a molecular weight of 372.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide is sourced from PubChem (CID 9418545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).