2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide

C16H15N5OS — CID 5393064

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccncc1
InChIInChI=1S/C16H15N5OS/c1-11(12-6-8-17-9-7-12)20-21-15(22)10-23-16-18-13-4-2-3-5-14(13)19-16/h2-9H,10H2,1H3,(H,18,19)(H,21,22)/b20-11+
InChIKeyFXOYCSNHVKWTTR-RGVLZGJSSA-N
MW325.40 g/mol
LogP2.59
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide (PubChem CID 5393064) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide
PubChem CID5393064
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccncc1
InChIInChI=1S/C16H15N5OS/c1-11(12-6-8-17-9-7-12)20-21-15(22)10-23-16-18-13-4-2-3-5-14(13)19-16/h2-9H,10H2,1H3,(H,18,19)(H,21,22)/b20-11+
InChIKeyFXOYCSNHVKWTTR-RGVLZGJSSA-N
XLogP2.59
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide (CID 5393064) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide is C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccncc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide?
The InChIKey is FXOYCSNHVKWTTR-RGVLZGJSSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-11(12-6-8-17-9-7-12)20-21-15(22)10-23-16-18-13-4-2-3-5-14(13)19-16/h2-9H,10H2,1H3,(H,18,19)(H,21,22)/b20-11+.
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide has a molecular weight of 325.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide is sourced from PubChem (CID 5393064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).