4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide

C16H11ClF2N4O2S — CID 34375476

IUPAC4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
SMILESO=C(CSc1nc2cc(F)c(F)cc2[nH]1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF2N4O2S/c17-9-3-1-8(2-4-9)15(25)23-22-14(24)7-26-16-20-12-5-10(18)11(19)6-13(12)21-16/h1-6H,7H2,(H,20,21)(H,22,24)(H,23,25)
InChIKeyPYZXIVQWWRASML-UHFFFAOYSA-N
MW396.81 g/mol
LogP3.05
Rot. Bonds4

About 4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide

4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide (PubChem CID 34375476) has the molecular formula C16H11ClF2N4O2S and a molecular weight of 396.81 g/mol. Its IUPAC name is 4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
PubChem CID34375476
Molecular FormulaC16H11ClF2N4O2S
Molecular Weight396.81 g/mol
Exact Mass396.03
IUPAC Name4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
SMILESO=C(CSc1nc2cc(F)c(F)cc2[nH]1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF2N4O2S/c17-9-3-1-8(2-4-9)15(25)23-22-14(24)7-26-16-20-12-5-10(18)11(19)6-13(12)21-16/h1-6H,7H2,(H,20,21)(H,22,24)(H,23,25)
InChIKeyPYZXIVQWWRASML-UHFFFAOYSA-N
XLogP3.05
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 53.05
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

4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 7152421
N'-[2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 17246584
4-chloro-N'-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 46825614
N'-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]pyridine-4-carbohydrazide
CID 4690916
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone
CID 1046644
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide
CID 34375248
1-(4-chlorophenyl)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 854784
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 25406762
2-N',6-N'-bis[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]naphthalene-2,6-dicarbohydrazide
CID 17325057
2-N',6-N'-bis[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]naphthalene-2,6-dicarbohydrazide
CID 73382383
4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 40544516
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 34375365

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide (CID 34375476) is 4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide is O=C(CSc1nc2cc(F)c(F)cc2[nH]1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The InChIKey is PYZXIVQWWRASML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O2S/c17-9-3-1-8(2-4-9)15(25)23-22-14(24)7-26-16-20-12-5-10(18)11(19)6-13(12)21-16/h1-6H,7H2,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of 4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide?
4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide has a molecular weight of 396.81 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 34375476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).