1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone

C15H13N3O2S — CID 83119904

IUPAC1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone
SMILESCOc1ccc2nc(Sc3ccc(C(C)=O)nc3)[nH]c2c1
InChIInChI=1S/C15H13N3O2S/c1-9(19)12-6-4-11(8-16-12)21-15-17-13-5-3-10(20-2)7-14(13)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyYMYSZNFQIFDFGM-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.32
Rot. Bonds4

About 1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone

1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone (PubChem CID 83119904) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone
PubChem CID83119904
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone
SMILESCOc1ccc2nc(Sc3ccc(C(C)=O)nc3)[nH]c2c1
InChIInChI=1S/C15H13N3O2S/c1-9(19)12-6-4-11(8-16-12)21-15-17-13-5-3-10(20-2)7-14(13)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyYMYSZNFQIFDFGM-UHFFFAOYSA-N
XLogP3.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63812775
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304
1-[2-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethoxy]phenyl]ethanone
CID 112775404
[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol
CID 80651608
[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
CID 63813247
4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80735327
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7225581
2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole
CID 61228416
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole
CID 62482154
2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine
CID 80640192
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanoic acid;hydrobromide
CID 141040481

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone (CID 83119904) is 1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone is COc1ccc2nc(Sc3ccc(C(C)=O)nc3)[nH]c2c1.
What is the InChIKey of 1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone?
The InChIKey is YMYSZNFQIFDFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9(19)12-6-4-11(8-16-12)21-15-17-13-5-3-10(20-2)7-14(13)18-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone?
1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone has a molecular weight of 299.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 83119904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).