2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide

C17H16N4OS — CID 5391782

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C17H16N4OS/c1-12(13-7-3-2-4-8-13)20-21-16(22)11-23-17-18-14-9-5-6-10-15(14)19-17/h2-10H,11H2,1H3,(H,18,19)(H,21,22)/b20-12-
InChIKeyZZBPTUDLYINQJR-NDENLUEZSA-N
MW324.41 g/mol
LogP3.20
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide (PubChem CID 5391782) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide
PubChem CID5391782
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C17H16N4OS/c1-12(13-7-3-2-4-8-13)20-21-16(22)11-23-17-18-14-9-5-6-10-15(14)19-17/h2-10H,11H2,1H3,(H,18,19)(H,21,22)/b20-12-
InChIKeyZZBPTUDLYINQJR-NDENLUEZSA-N
XLogP3.20
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
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2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide
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2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-fluorophenyl)methylideneamino]acetamide
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CID 1202097
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide
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2-(1H-benzimidazol-2-ylsulfanyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 1242863
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[[(4-chlorophenyl)diazenyl]-pyridin-3-ylmethylidene]amino]acetamide
CID 135686648
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(3,4-dimethylphenyl)ethylideneamino]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide (CID 5391782) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide is C/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide?
The InChIKey is ZZBPTUDLYINQJR-NDENLUEZSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-12(13-7-3-2-4-8-13)20-21-16(22)11-23-17-18-14-9-5-6-10-15(14)19-17/h2-10H,11H2,1H3,(H,18,19)(H,21,22)/b20-12-.
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide has a molecular weight of 324.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide is sourced from PubChem (CID 5391782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).