2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide

C18H15N5O2S — CID 25020985

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C18H15N5O2S/c24-16(11-26-18-19-13-8-4-5-9-14(13)20-18)21-15-10-17(25)23(22-15)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)(H,21,22,24)
InChIKeyUSPQADYCERATMN-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.52
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide (PubChem CID 25020985) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
PubChem CID25020985
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C18H15N5O2S/c24-16(11-26-18-19-13-8-4-5-9-14(13)20-18)21-15-10-17(25)23(22-15)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)(H,21,22,24)
InChIKeyUSPQADYCERATMN-UHFFFAOYSA-N
XLogP2.52
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}

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Related Compounds

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2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide
CID 23824405
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoyl chloride
CID 135393737
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 6459655
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 17246536
2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2945619
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide
CID 1019067
methyl 3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate
CID 11837298
2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide
CID 2883797

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide (CID 25020985) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide is O=C(CSc1nc2ccccc2[nH]1)NC1=NN(c2ccccc2)C(=O)C1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The InChIKey is USPQADYCERATMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c24-16(11-26-18-19-13-8-4-5-9-14(13)20-18)21-15-10-17(25)23(22-15)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)(H,21,22,24).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide has a molecular weight of 365.42 g/mol, XLogP of 2.52, 4 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-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 25020985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).