N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide

C18H15FN4O2S — CID 30532232

IUPACN'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide
SMILESCSc1ncc(C(=O)NNC(=O)c2ccccc2)n1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN4O2S/c1-26-18-20-11-15(23(18)14-9-7-13(19)8-10-14)17(25)22-21-16(24)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,24)(H,22,25)
InChIKeyGSGABQNMMMEHND-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.81
Rot. Bonds4

About N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide

N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide (PubChem CID 30532232) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide
PubChem CID30532232
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC NameN'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide
SMILESCSc1ncc(C(=O)NNC(=O)c2ccccc2)n1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN4O2S/c1-26-18-20-11-15(23(18)14-9-7-13(19)8-10-14)17(25)22-21-16(24)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,24)(H,22,25)
InChIKeyGSGABQNMMMEHND-UHFFFAOYSA-N
XLogP2.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.81
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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Related Compounds

3-(4-fluorophenyl)-N'-(3-methylbutanoyl)-2-methylsulfanylimidazole-4-carbohydrazide
CID 24644526
3-(4-fluorophenyl)-2-methylsulfanyl-N-propan-2-ylimidazole-4-carboxamide
CID 18124051
N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide
CID 43006495
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 55973799
3-(4-fluorophenyl)-N-(3-hydroxyphenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 78797233
N-(4-acetamidophenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 34316971
N'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 30456352
[1-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 33180217
3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide
CID 55515096
3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-(pyrimidin-2-ylamino)ethyl]imidazole-4-carboxamide
CID 55647157
3-(4-fluorophenyl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-methylsulfanylimidazole-4-carboxamide
CID 55671983
N-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 16548329

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide?
The IUPAC name of N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide (CID 30532232) is N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide.
What is the SMILES notation for N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide?
The canonical SMILES for N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide is CSc1ncc(C(=O)NNC(=O)c2ccccc2)n1-c1ccc(F)cc1.
What is the InChIKey of N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide?
The InChIKey is GSGABQNMMMEHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c1-26-18-20-11-15(23(18)14-9-7-13(19)8-10-14)17(25)22-21-16(24)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide?
N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide has a molecular weight of 370.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide is sourced from PubChem (CID 30532232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).