2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-benzimidazole

C12H7ClFN3S — CID 79734343

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-benzimidazole
SMILESFc1cc(Cl)cnc1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C12H7ClFN3S/c13-7-5-8(14)11(15-6-7)18-12-16-9-3-1-2-4-10(9)17-12/h1-6H,(H,16,17)
InChIKeyOEJFWBQXFGHUIJ-UHFFFAOYSA-N
MW279.73 g/mol
LogP3.90
Rot. Bonds2

About 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-benzimidazole

2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-benzimidazole (PubChem CID 79734343) has the molecular formula C12H7ClFN3S and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-benzimidazole
PubChem CID79734343
Molecular FormulaC12H7ClFN3S
Molecular Weight279.73 g/mol
Exact Mass279.00
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-benzimidazole
SMILESFc1cc(Cl)cnc1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C12H7ClFN3S/c13-7-5-8(14)11(15-6-7)18-12-16-9-3-1-2-4-10(9)17-12/h1-6H,(H,16,17)
InChIKeyOEJFWBQXFGHUIJ-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-benzimidazole?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-benzimidazole (CID 79734343) is 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-benzimidazole?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-benzimidazole is Fc1cc(Cl)cnc1Sc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-benzimidazole?
The InChIKey is OEJFWBQXFGHUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3S/c13-7-5-8(14)11(15-6-7)18-12-16-9-3-1-2-4-10(9)17-12/h1-6H,(H,16,17).
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-benzimidazole?
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-benzimidazole has a molecular weight of 279.73 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-benzimidazole is sourced from PubChem (CID 79734343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).