2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole

C13H10FN3OS — CID 61228416

IUPAC2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(Sc3cccc(F)n3)[nH]c2c1
InChIInChI=1S/C13H10FN3OS/c1-18-8-5-6-9-10(7-8)16-13(15-9)19-12-4-2-3-11(14)17-12/h2-7H,1H3,(H,15,16)
InChIKeyZEEPMDQDOJMDAG-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.26
Rot. Bonds3

About 2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole

2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole (PubChem CID 61228416) has the molecular formula C13H10FN3OS and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole
PubChem CID61228416
Molecular FormulaC13H10FN3OS
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC Name2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(Sc3cccc(F)n3)[nH]c2c1
InChIInChI=1S/C13H10FN3OS/c1-18-8-5-6-9-10(7-8)16-13(15-9)19-12-4-2-3-11(14)17-12/h2-7H,1H3,(H,15,16)
InChIKeyZEEPMDQDOJMDAG-UHFFFAOYSA-N
XLogP3.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole
CID 62482154
4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80735327
8-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-yl]oxyquinoline
CID 126961640
(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63812775
[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
2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine
CID 80640192
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole
CID 112775399
N-(2,6-difluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2081440
(2S)-2-(4-fluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 40808613
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-6-methylpyrimidine-4-carbonitrile
CID 107551332

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole (CID 61228416) is 2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole is COc1ccc2nc(Sc3cccc(F)n3)[nH]c2c1.
What is the InChIKey of 2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole?
The InChIKey is ZEEPMDQDOJMDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS/c1-18-8-5-6-9-10(7-8)16-13(15-9)19-12-4-2-3-11(14)17-12/h2-7H,1H3,(H,15,16).
What are the key properties of 2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole?
2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole has a molecular weight of 275.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 61228416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).