6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole

C19H14FN3S — CID 52934917

IUPAC6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole
SMILESFc1ccccc1CSc1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C19H14FN3S/c20-15-6-2-1-5-13(15)12-24-14-8-9-16-18(11-14)23-19(22-16)17-7-3-4-10-21-17/h1-11H,12H2,(H,22,23)
InChIKeyAVTBOSCIHOGXRY-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.06
Rot. Bonds4

About 6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole

6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole (PubChem CID 52934917) has the molecular formula C19H14FN3S and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole
PubChem CID52934917
Molecular FormulaC19H14FN3S
Molecular Weight335.41 g/mol
Exact Mass335.09
IUPAC Name6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole
SMILESFc1ccccc1CSc1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C19H14FN3S/c20-15-6-2-1-5-13(15)12-24-14-8-9-16-18(11-14)23-19(22-16)17-7-3-4-10-21-17/h1-11H,12H2,(H,22,23)
InChIKeyAVTBOSCIHOGXRY-UHFFFAOYSA-N
XLogP5.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole?
The IUPAC name of 6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole (CID 52934917) is 6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole.
What is the SMILES notation for 6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole?
The canonical SMILES for 6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole is Fc1ccccc1CSc1ccc2nc(-c3ccccn3)[nH]c2c1.
What is the InChIKey of 6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole?
The InChIKey is AVTBOSCIHOGXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3S/c20-15-6-2-1-5-13(15)12-24-14-8-9-16-18(11-14)23-19(22-16)17-7-3-4-10-21-17/h1-11H,12H2,(H,22,23).
What are the key properties of 6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole?
6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole has a molecular weight of 335.41 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole is sourced from PubChem (CID 52934917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).