4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide

C18H14Cl2N4O2S — CID 46811521

IUPAC4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1nccn1-c1cccc(Cl)c1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N4O2S/c19-13-6-4-12(5-7-13)17(26)23-22-16(25)11-27-18-21-8-9-24(18)15-3-1-2-14(20)10-15/h1-10H,11H2,(H,22,25)(H,23,26)
InChIKeyXKXGPFWNQAWOJB-UHFFFAOYSA-N
MW421.31 g/mol
LogP3.73
Rot. Bonds5

About 4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide

4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide (PubChem CID 46811521) has the molecular formula C18H14Cl2N4O2S and a molecular weight of 421.31 g/mol. Its IUPAC name is 4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
PubChem CID46811521
Molecular FormulaC18H14Cl2N4O2S
Molecular Weight421.31 g/mol
Exact Mass420.02
IUPAC Name4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1nccn1-c1cccc(Cl)c1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N4O2S/c19-13-6-4-12(5-7-13)17(26)23-22-16(25)11-27-18-21-8-9-24(18)15-3-1-2-14(20)10-15/h1-10H,11H2,(H,22,25)(H,23,26)
InChIKeyXKXGPFWNQAWOJB-UHFFFAOYSA-N
XLogP3.73
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 53.73
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

N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17458683
N'-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 51431650
N'-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-1,3-benzodioxole-5-carbohydrazide
CID 9020928
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36621913
1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole
CID 47134933
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
CID 33299887
N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide
CID 18207204
4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 9020841
N'-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-fluorobenzohydrazide
CID 46813112
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide
CID 29484884
N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 43026580

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide (CID 46811521) is 4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide is O=C(CSc1nccn1-c1cccc(Cl)c1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide?
The InChIKey is XKXGPFWNQAWOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2S/c19-13-6-4-12(5-7-13)17(26)23-22-16(25)11-27-18-21-8-9-24(18)15-3-1-2-14(20)10-15/h1-10H,11H2,(H,22,25)(H,23,26).
What are the key properties of 4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide?
4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide has a molecular weight of 421.31 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 46811521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).