2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole

C14H11FN2S — CID 694650

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole
SMILESFc1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H11FN2S/c15-11-7-5-10(6-8-11)9-18-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)
InChIKeyOMXRCMRPDVPIDR-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.99
Rot. Bonds3

About 2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole

2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole (PubChem CID 694650) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole
PubChem CID694650
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole
SMILESFc1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H11FN2S/c15-11-7-5-10(6-8-11)9-18-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)
InChIKeyOMXRCMRPDVPIDR-UHFFFAOYSA-N
XLogP3.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole (CID 694650) is 2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole is Fc1ccc(CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole?
The InChIKey is OMXRCMRPDVPIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c15-11-7-5-10(6-8-11)9-18-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole?
2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole has a molecular weight of 258.32 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 694650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).