4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide

C18H14ClFN4O2S — CID 46825614

IUPAC4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClFN4O2S/c19-13-5-1-12(2-6-13)17(26)24-23-16(25)10-27-18-21-9-15(22-18)11-3-7-14(20)8-4-11/h1-9H,10H2,(H,21,22)(H,23,25)(H,24,26)
InChIKeyWWRXKCSWGOVDNO-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.42
Rot. Bonds5

About 4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide

4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide (PubChem CID 46825614) has the molecular formula C18H14ClFN4O2S and a molecular weight of 404.85 g/mol. Its IUPAC name is 4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide
PubChem CID46825614
Molecular FormulaC18H14ClFN4O2S
Molecular Weight404.85 g/mol
Exact Mass404.05
IUPAC Name4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClFN4O2S/c19-13-5-1-12(2-6-13)17(26)24-23-16(25)10-27-18-21-9-15(22-18)11-3-7-14(20)8-4-11/h1-9H,10H2,(H,21,22)(H,23,25)(H,24,26)
InChIKeyWWRXKCSWGOVDNO-UHFFFAOYSA-N
XLogP3.42
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 1118769
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 860011
4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 34375476
N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 27736308
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 27736148
ethyl 2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]acetate
CID 1080939
N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 27736272
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40942854
N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide
CID 18575464
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide
CID 7479562
4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide
CID 35039501
N'-[2-[[4-(4-chlorophenyl)-5-[(1R)-1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-fluorobenzohydrazide
CID 40935203

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide (CID 46825614) is 4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide is O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The InChIKey is WWRXKCSWGOVDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2S/c19-13-5-1-12(2-6-13)17(26)24-23-16(25)10-27-18-21-9-15(22-18)11-3-7-14(20)8-4-11/h1-9H,10H2,(H,21,22)(H,23,25)(H,24,26).
What are the key properties of 4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide?
4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide has a molecular weight of 404.85 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 46825614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).