2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-pyridinyl)acetamide

C14H11ClN4OS — CID 684872

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H11ClN4OS/c15-9-5-6-12(16-7-9)19-13(20)8-21-14-17-10-3-1-2-4-11(10)18-14/h1-7H,8H2,(H,17,18)(H,16,19,20)
InChIKeyOOYJNUNOVRCHJZ-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.34
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-pyridinyl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 684872) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID684872
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H11ClN4OS/c15-9-5-6-12(16-7-9)19-13(20)8-21-14-17-10-3-1-2-4-11(10)18-14/h1-7H,8H2,(H,17,18)(H,16,19,20)
InChIKeyOOYJNUNOVRCHJZ-UHFFFAOYSA-N
XLogP3.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Timoprazole
CID 72171
2-{3H-Imidazo[4,5-B]pyridin-2-ylsulfanyl}-N-(2-phenylethyl)acetamide
CID 606016
2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone
CID 757389
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-chlorophenyl)-
CID 218692
N-(2-Ethylphenyl)-2-(3h-Imidazo[4,5-B]pyridin-2-Ylsulfanyl)acetamide
CID 1264291
2-[3-(1H-Benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-N-tert-butyl-acetamide
CID 1432482
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide
CID 2087499
6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
CID 3747580
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide
CID 4880453
4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide
CID 24687510
2-(6-Amino-9H-purin-8-ylsulfanyl)-N-(2-fluoro-phenyl)-acetamide
CID 24792449
2-(4-Chloro-benzylsulfanyl)-3H-imidazo[4,5-b]pyridine
CID 580871

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-pyridinyl)acetamide (CID 684872) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-pyridinyl)acetamide is O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is OOYJNUNOVRCHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c15-9-5-6-12(16-7-9)19-13(20)8-21-14-17-10-3-1-2-4-11(10)18-14/h1-7H,8H2,(H,17,18)(H,16,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-pyridinyl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 318.79 g/mol, XLogP of 3.34, 4 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-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 684872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).