3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide

C10H8F2N4OS — CID 114000715

IUPAC3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)c(Sc2ncc[nH]2)c(F)c1
InChIInChI=1S/C10H8F2N4OS/c11-6-3-5(9(13)16-17)4-7(12)8(6)18-10-14-1-2-15-10/h1-4,17H,(H2,13,16)(H,14,15)
InChIKeyJIWDUFBZKURPCC-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.93
Rot. Bonds3

About 3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide

3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide (PubChem CID 114000715) has the molecular formula C10H8F2N4OS and a molecular weight of 270.26 g/mol. Its IUPAC name is 3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide
PubChem CID114000715
Molecular FormulaC10H8F2N4OS
Molecular Weight270.26 g/mol
Exact Mass270.04
IUPAC Name3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)c(Sc2ncc[nH]2)c(F)c1
InChIInChI=1S/C10H8F2N4OS/c11-6-3-5(9(13)16-17)4-7(12)8(6)18-10-14-1-2-15-10/h1-4,17H,(H2,13,16)(H,14,15)
InChIKeyJIWDUFBZKURPCC-UHFFFAOYSA-N
XLogP1.93
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide
CID 81283248
7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide
CID 76787414
N'-hydroxy-4-(1H-imidazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 107780293
3,5-difluoro-N'-hydroxy-4-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 81287042
3,5-difluoro-N'-hydroxy-4-(1-hydroxypropan-2-ylsulfanyl)benzenecarboximidamide
CID 113373827
3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide
CID 136778508
2-amino-4-fluoro-5-(1H-imidazol-2-ylsulfanyl)benzamide
CID 107781286
3,5-dichloro-4-(1H-imidazol-2-ylsulfanyl)aniline
CID 107779410
4-bromo-5-fluoro-2-(1H-imidazol-2-ylsulfanyl)aniline
CID 107779438
2,6-difluoro-4-[(Z)-N'-hydroxycarbamimidoyl]benzoic acid
CID 129386894
2-fluoro-N'-hydroxypyridine-4-carboximidamide
CID 137242090
1-[2-fluoro-6-(1H-imidazol-2-ylsulfanyl)phenyl]ethanol
CID 107783372

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide (CID 114000715) is 3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide is N/C(=N/O)c1cc(F)c(Sc2ncc[nH]2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide?
The InChIKey is JIWDUFBZKURPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4OS/c11-6-3-5(9(13)16-17)4-7(12)8(6)18-10-14-1-2-15-10/h1-4,17H,(H2,13,16)(H,14,15).
What are the key properties of 3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide?
3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide has a molecular weight of 270.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 114000715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).