4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide

C19H17N5O2S — CID 2594362

IUPAC4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
SMILESO=C(CCCSc1nc2ccccc2[nH]1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H17N5O2S/c25-16(22-18-24-23-17(26-18)13-7-2-1-3-8-13)11-6-12-27-19-20-14-9-4-5-10-15(14)21-19/h1-5,7-10H,6,11-12H2,(H,20,21)(H,22,24,25)
InChIKeySBLSMWVFOZQVEQ-UHFFFAOYSA-N
MW379.45 g/mol
LogP4.12
Rot. Bonds7

About 4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide

4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide (PubChem CID 2594362) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
PubChem CID2594362
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
SMILESO=C(CCCSc1nc2ccccc2[nH]1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H17N5O2S/c25-16(22-18-24-23-17(26-18)13-7-2-1-3-8-13)11-6-12-27-19-20-14-9-4-5-10-15(14)21-19/h1-5,7-10H,6,11-12H2,(H,20,21)(H,22,24,25)
InChIKeySBLSMWVFOZQVEQ-UHFFFAOYSA-N
XLogP4.12
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide (CID 2594362) is 4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide is O=C(CCCSc1nc2ccccc2[nH]1)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The InChIKey is SBLSMWVFOZQVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c25-16(22-18-24-23-17(26-18)13-7-2-1-3-8-13)11-6-12-27-19-20-14-9-4-5-10-15(14)21-19/h1-5,7-10H,6,11-12H2,(H,20,21)(H,22,24,25).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide has a molecular weight of 379.45 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide is sourced from PubChem (CID 2594362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).