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

C15H13N5OS — CID 6864527

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccncc1
InChIInChI=1S/C15H13N5OS/c21-14(20-17-9-11-5-7-16-8-6-11)10-22-15-18-12-3-1-2-4-13(12)19-15/h1-9H,10H2,(H,18,19)(H,20,21)/b17-9+
InChIKeyNFZHWZFMXUIYCX-RQZCQDPDSA-N
MW311.37 g/mol
LogP2.20
Rot. Bonds5

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

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide (PubChem CID 6864527) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
PubChem CID6864527
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccncc1
InChIInChI=1S/C15H13N5OS/c21-14(20-17-9-11-5-7-16-8-6-11)10-22-15-18-12-3-1-2-4-13(12)19-15/h1-9H,10H2,(H,18,19)(H,20,21)/b17-9+
InChIKeyNFZHWZFMXUIYCX-RQZCQDPDSA-N
XLogP2.20
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.20
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)-pyridin-4-ylmethylideneamino]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide (CID 6864527) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide is O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccncc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide?
The InChIKey is NFZHWZFMXUIYCX-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13N5OS/c21-14(20-17-9-11-5-7-16-8-6-11)10-22-15-18-12-3-1-2-4-13(12)19-15/h1-9H,10H2,(H,18,19)(H,20,21)/b17-9+.
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide has a molecular weight of 311.37 g/mol, XLogP of 2.20, 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)-pyridin-4-ylmethylideneamino]acetamide is sourced from PubChem (CID 6864527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).