2-[2-fluoro-6-(4-methoxy-2-pyridinyl)phenyl]sulfanyl-1H-benzimidazole

C19H14FN3OS — CID 67880241

IUPAC2-[2-fluoro-6-(4-methoxy-2-pyridinyl)phenyl]sulfanyl-1H-benzimidazole
SMILESCOc1ccnc(-c2cccc(F)c2Sc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H14FN3OS/c1-24-12-9-10-21-17(11-12)13-5-4-6-14(20)18(13)25-19-22-15-7-2-3-8-16(15)23-19/h2-11H,1H3,(H,22,23)
InChIKeyQEUONVLQTUCMSO-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.92
Rot. Bonds4

About 2-[2-fluoro-6-(4-methoxy-2-pyridinyl)phenyl]sulfanyl-1H-benzimidazole

2-[2-fluoro-6-(4-methoxy-2-pyridinyl)phenyl]sulfanyl-1H-benzimidazole (PubChem CID 67880241) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[2-fluoro-6-(4-methoxy-2-pyridinyl)phenyl]sulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-fluoro-6-(4-methoxy-2-pyridinyl)phenyl]sulfanyl-1H-benzimidazole
PubChem CID67880241
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name2-[2-fluoro-6-(4-methoxy-2-pyridinyl)phenyl]sulfanyl-1H-benzimidazole
SMILESCOc1ccnc(-c2cccc(F)c2Sc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H14FN3OS/c1-24-12-9-10-21-17(11-12)13-5-4-6-14(20)18(13)25-19-22-15-7-2-3-8-16(15)23-19/h2-11H,1H3,(H,22,23)
InChIKeyQEUONVLQTUCMSO-UHFFFAOYSA-N
XLogP4.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(4-methoxy-2-pyridinyl)phenyl]sulfanyl-1H-benzimidazole?
The IUPAC name of 2-[2-fluoro-6-(4-methoxy-2-pyridinyl)phenyl]sulfanyl-1H-benzimidazole (CID 67880241) is 2-[2-fluoro-6-(4-methoxy-2-pyridinyl)phenyl]sulfanyl-1H-benzimidazole.
What is the SMILES notation for 2-[2-fluoro-6-(4-methoxy-2-pyridinyl)phenyl]sulfanyl-1H-benzimidazole?
The canonical SMILES for 2-[2-fluoro-6-(4-methoxy-2-pyridinyl)phenyl]sulfanyl-1H-benzimidazole is COc1ccnc(-c2cccc(F)c2Sc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[2-fluoro-6-(4-methoxy-2-pyridinyl)phenyl]sulfanyl-1H-benzimidazole?
The InChIKey is QEUONVLQTUCMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c1-24-12-9-10-21-17(11-12)13-5-4-6-14(20)18(13)25-19-22-15-7-2-3-8-16(15)23-19/h2-11H,1H3,(H,22,23).
What are the key properties of 2-[2-fluoro-6-(4-methoxy-2-pyridinyl)phenyl]sulfanyl-1H-benzimidazole?
2-[2-fluoro-6-(4-methoxy-2-pyridinyl)phenyl]sulfanyl-1H-benzimidazole has a molecular weight of 351.41 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(4-methoxy-2-pyridinyl)phenyl]sulfanyl-1H-benzimidazole is sourced from PubChem (CID 67880241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).