4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide

C22H24FN5O3 — CID 4789697

IUPAC4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C22H24FN5O3/c1-13(2)20(25-21(30)14-8-10-15(23)11-9-14)22(31)27-26-19(29)12-18-24-16-6-4-5-7-17(16)28(18)3/h4-11,13,20H,12H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyWJSGUEKZTDIPGL-UHFFFAOYSA-N
MW425.46 g/mol
LogP1.86
Rot. Bonds6

About 4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide

4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide (PubChem CID 4789697) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide
PubChem CID4789697
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C22H24FN5O3/c1-13(2)20(25-21(30)14-8-10-15(23)11-9-14)22(31)27-26-19(29)12-18-24-16-6-4-5-7-17(16)28(18)3/h4-11,13,20H,12H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyWJSGUEKZTDIPGL-UHFFFAOYSA-N
XLogP1.86
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 3603733
2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 4787678
4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 751122
2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
CID 18158832
1-(4-fluorophenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-4,5,6,7-tetrahydroindazole-3-carbohydrazide
CID 43044595
4-fluoro-N-[3-methyl-1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 18282748
4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46476539
N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51729314
4-fluoro-N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 751168
N-[1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55341774
2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide
CID 18284100
N-[1-[2-(benzylcarbamothioyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 18228792

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide (CID 4789697) is 4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)Cc1nc2ccccc2n1C.
What is the InChIKey of 4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide?
The InChIKey is WJSGUEKZTDIPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-13(2)20(25-21(30)14-8-10-15(23)11-9-14)22(31)27-26-19(29)12-18-24-16-6-4-5-7-17(16)28(18)3/h4-11,13,20H,12H2,1-3H3,(H,25,30)(H,26,29)(H,27,31).
What are the key properties of 4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide?
4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide has a molecular weight of 425.46 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-methyl-1-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 4789697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).