4-(3-ethyl-2-fluorophenyl)-5-methylsulfanyl-1H-benzimidazole

C16H15FN2S — CID 118334059

IUPAC4-(3-ethyl-2-fluorophenyl)-5-methylsulfanyl-1H-benzimidazole
SMILESCCc1cccc(-c2c(SC)ccc3[nH]cnc23)c1F
InChIInChI=1S/C16H15FN2S/c1-3-10-5-4-6-11(15(10)17)14-13(20-2)8-7-12-16(14)19-9-18-12/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyCVVXVAOIWBKJBX-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.65
Rot. Bonds3

About 4-(3-ethyl-2-fluorophenyl)-5-methylsulfanyl-1H-benzimidazole

4-(3-ethyl-2-fluorophenyl)-5-methylsulfanyl-1H-benzimidazole (PubChem CID 118334059) has the molecular formula C16H15FN2S and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(3-ethyl-2-fluorophenyl)-5-methylsulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name4-(3-ethyl-2-fluorophenyl)-5-methylsulfanyl-1H-benzimidazole
PubChem CID118334059
Molecular FormulaC16H15FN2S
Molecular Weight286.38 g/mol
Exact Mass286.09
IUPAC Name4-(3-ethyl-2-fluorophenyl)-5-methylsulfanyl-1H-benzimidazole
SMILESCCc1cccc(-c2c(SC)ccc3[nH]cnc23)c1F
InChIInChI=1S/C16H15FN2S/c1-3-10-5-4-6-11(15(10)17)14-13(20-2)8-7-12-16(14)19-9-18-12/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyCVVXVAOIWBKJBX-UHFFFAOYSA-N
XLogP4.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2-fluorophenyl)-5-methylsulfanyl-1H-benzimidazole?
The IUPAC name of 4-(3-ethyl-2-fluorophenyl)-5-methylsulfanyl-1H-benzimidazole (CID 118334059) is 4-(3-ethyl-2-fluorophenyl)-5-methylsulfanyl-1H-benzimidazole.
What is the SMILES notation for 4-(3-ethyl-2-fluorophenyl)-5-methylsulfanyl-1H-benzimidazole?
The canonical SMILES for 4-(3-ethyl-2-fluorophenyl)-5-methylsulfanyl-1H-benzimidazole is CCc1cccc(-c2c(SC)ccc3[nH]cnc23)c1F.
What is the InChIKey of 4-(3-ethyl-2-fluorophenyl)-5-methylsulfanyl-1H-benzimidazole?
The InChIKey is CVVXVAOIWBKJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S/c1-3-10-5-4-6-11(15(10)17)14-13(20-2)8-7-12-16(14)19-9-18-12/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-(3-ethyl-2-fluorophenyl)-5-methylsulfanyl-1H-benzimidazole?
4-(3-ethyl-2-fluorophenyl)-5-methylsulfanyl-1H-benzimidazole has a molecular weight of 286.38 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2-fluorophenyl)-5-methylsulfanyl-1H-benzimidazole is sourced from PubChem (CID 118334059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).