4-(2-fluoro-3-methylphenyl)-5-methylsulfanyl-1H-benzimidazole

C15H13FN2S — CID 118330546

IUPAC4-(2-fluoro-3-methylphenyl)-5-methylsulfanyl-1H-benzimidazole
SMILESCSc1ccc2[nH]cnc2c1-c1cccc(C)c1F
InChIInChI=1S/C15H13FN2S/c1-9-4-3-5-10(14(9)16)13-12(19-2)7-6-11-15(13)18-8-17-11/h3-8H,1-2H3,(H,17,18)
InChIKeyBDVXTQVLTOKAKP-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.40
Rot. Bonds2

About 4-(2-fluoro-3-methylphenyl)-5-methylsulfanyl-1H-benzimidazole

4-(2-fluoro-3-methylphenyl)-5-methylsulfanyl-1H-benzimidazole (PubChem CID 118330546) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylphenyl)-5-methylsulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name4-(2-fluoro-3-methylphenyl)-5-methylsulfanyl-1H-benzimidazole
PubChem CID118330546
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC Name4-(2-fluoro-3-methylphenyl)-5-methylsulfanyl-1H-benzimidazole
SMILESCSc1ccc2[nH]cnc2c1-c1cccc(C)c1F
InChIInChI=1S/C15H13FN2S/c1-9-4-3-5-10(14(9)16)13-12(19-2)7-6-11-15(13)18-8-17-11/h3-8H,1-2H3,(H,17,18)
InChIKeyBDVXTQVLTOKAKP-UHFFFAOYSA-N
XLogP4.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methylphenyl)-5-methylsulfanyl-1H-benzimidazole?
The IUPAC name of 4-(2-fluoro-3-methylphenyl)-5-methylsulfanyl-1H-benzimidazole (CID 118330546) is 4-(2-fluoro-3-methylphenyl)-5-methylsulfanyl-1H-benzimidazole.
What is the SMILES notation for 4-(2-fluoro-3-methylphenyl)-5-methylsulfanyl-1H-benzimidazole?
The canonical SMILES for 4-(2-fluoro-3-methylphenyl)-5-methylsulfanyl-1H-benzimidazole is CSc1ccc2[nH]cnc2c1-c1cccc(C)c1F.
What is the InChIKey of 4-(2-fluoro-3-methylphenyl)-5-methylsulfanyl-1H-benzimidazole?
The InChIKey is BDVXTQVLTOKAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-9-4-3-5-10(14(9)16)13-12(19-2)7-6-11-15(13)18-8-17-11/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-(2-fluoro-3-methylphenyl)-5-methylsulfanyl-1H-benzimidazole?
4-(2-fluoro-3-methylphenyl)-5-methylsulfanyl-1H-benzimidazole has a molecular weight of 272.35 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methylphenyl)-5-methylsulfanyl-1H-benzimidazole is sourced from PubChem (CID 118330546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).