3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide

C20H19FN4O2 — CID 40591024

IUPAC3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide
SMILESC[C@@H](CC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H19FN4O2/c1-14(15-5-3-2-4-6-15)11-19(26)23-24-20(27)18-12-22-13-25(18)17-9-7-16(21)8-10-17/h2-10,12-14H,11H2,1H3,(H,23,26)(H,24,27)/t14-/m0/s1
InChIKeyDKLUFVKGOGWLJY-AWEZNQCLSA-N
MW366.40 g/mol
LogP2.97
Rot. Bonds5

About 3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide

3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide (PubChem CID 40591024) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide
PubChem CID40591024
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide
SMILESC[C@@H](CC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H19FN4O2/c1-14(15-5-3-2-4-6-15)11-19(26)23-24-20(27)18-12-22-13-25(18)17-9-7-16(21)8-10-17/h2-10,12-14H,11H2,1H3,(H,23,26)(H,24,27)/t14-/m0/s1
InChIKeyDKLUFVKGOGWLJY-AWEZNQCLSA-N
XLogP2.97
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.97
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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Related Compounds

3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide
CID 17474621
N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418556
4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide
CID 4791204
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9158171
N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418557
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 30969685
ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854
[2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18192374
N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 25437345
3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride
CID 119495560
3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide
CID 4795823

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide?
The IUPAC name of 3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide (CID 40591024) is 3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide.
What is the SMILES notation for 3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide?
The canonical SMILES for 3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide is C[C@@H](CC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide?
The InChIKey is DKLUFVKGOGWLJY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-14(15-5-3-2-4-6-15)11-19(26)23-24-20(27)18-12-22-13-25(18)17-9-7-16(21)8-10-17/h2-10,12-14H,11H2,1H3,(H,23,26)(H,24,27)/t14-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide?
3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide has a molecular weight of 366.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide is sourced from PubChem (CID 40591024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).