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

C17H15ClN4O3S — CID 7152421

IUPAC4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
SMILESCOc1ccc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C17H15ClN4O3S/c1-25-12-6-7-13-14(8-12)20-17(19-13)26-9-15(23)21-22-16(24)10-2-4-11(18)5-3-10/h2-8H,9H2,1H3,(H,19,20)(H,21,23)(H,22,24)
InChIKeyGFENKDNOXMLITN-UHFFFAOYSA-N
MW390.85 g/mol
LogP2.78
Rot. Bonds5

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

4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide (PubChem CID 7152421) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is 4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
PubChem CID7152421
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
SMILESCOc1ccc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C17H15ClN4O3S/c1-25-12-6-7-13-14(8-12)20-17(19-13)26-9-15(23)21-22-16(24)10-2-4-11(18)5-3-10/h2-8H,9H2,1H3,(H,19,20)(H,21,23)(H,22,24)
InChIKeyGFENKDNOXMLITN-UHFFFAOYSA-N
XLogP2.78
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.78
H-Bond Donors ≤ 53
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-[(4-chlorophenyl)methyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2610643
4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 34375476
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide
CID 728051
2-N',6-N'-bis[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]naphthalene-2,6-dicarbohydrazide
CID 17325057
N-(5-chloro-2-pyridinyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 4818018
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1348333
N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide
CID 40672353
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304
N-(2,6-difluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2081440
dimethyl 5-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 18078072

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide (CID 7152421) is 4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide is COc1ccc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)[nH]c2c1.
What is the InChIKey of 4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The InChIKey is GFENKDNOXMLITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-25-12-6-7-13-14(8-12)20-17(19-13)26-9-15(23)21-22-16(24)10-2-4-11(18)5-3-10/h2-8H,9H2,1H3,(H,19,20)(H,21,23)(H,22,24).
What are the key properties of 4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide?
4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide has a molecular weight of 390.85 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 7152421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).