3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide

C19H17FN4O4S — CID 9418541

IUPAC3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide
SMILESCS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H17FN4O4S/c1-29(27,28)11-13-2-4-14(5-3-13)18(25)22-23-19(26)17-10-21-12-24(17)16-8-6-15(20)7-9-16/h2-10,12H,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyRUOCALUBBHKJDX-UHFFFAOYSA-N
MW416.43 g/mol
LogP1.63
Rot. Bonds5

About 3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide

3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide (PubChem CID 9418541) has the molecular formula C19H17FN4O4S and a molecular weight of 416.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide
PubChem CID9418541
Molecular FormulaC19H17FN4O4S
Molecular Weight416.43 g/mol
Exact Mass416.10
IUPAC Name3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide
SMILESCS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H17FN4O4S/c1-29(27,28)11-13-2-4-14(5-3-13)18(25)22-23-19(26)17-10-21-12-24(17)16-8-6-15(20)7-9-16/h2-10,12H,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyRUOCALUBBHKJDX-UHFFFAOYSA-N
XLogP1.63
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 26311422
N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide
CID 30507763
ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854
3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 47007581
3-(4-fluorophenyl)-N'-[4-(methylamino)-3-nitrobenzoyl]imidazole-4-carbohydrazide
CID 9418546
N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418557
3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide
CID 17474621
N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418556
N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 25437345
3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide
CID 40591024
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9158171

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide?
The IUPAC name of 3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide (CID 9418541) is 3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide.
What is the SMILES notation for 3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide?
The canonical SMILES for 3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide is CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide?
The InChIKey is RUOCALUBBHKJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4S/c1-29(27,28)11-13-2-4-14(5-3-13)18(25)22-23-19(26)17-10-21-12-24(17)16-8-6-15(20)7-9-16/h2-10,12H,11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide?
3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide has a molecular weight of 416.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide is sourced from PubChem (CID 9418541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).