4-fluoro-5-methylsulfanyl-1H-benzimidazole

C8H7FN2S — CID 131073113

IUPAC4-fluoro-5-methylsulfanyl-1H-benzimidazole
SMILESCSc1ccc2[nH]cnc2c1F
InChIInChI=1S/C8H7FN2S/c1-12-6-3-2-5-8(7(6)9)11-4-10-5/h2-4H,1H3,(H,10,11)
InChIKeySUFHIZNFHQVWTG-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.42
Rot. Bonds1

About 4-fluoro-5-methylsulfanyl-1H-benzimidazole

4-fluoro-5-methylsulfanyl-1H-benzimidazole (PubChem CID 131073113) has the molecular formula C8H7FN2S and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-fluoro-5-methylsulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name4-fluoro-5-methylsulfanyl-1H-benzimidazole
PubChem CID131073113
Molecular FormulaC8H7FN2S
Molecular Weight182.22 g/mol
Exact Mass182.03
IUPAC Name4-fluoro-5-methylsulfanyl-1H-benzimidazole
SMILESCSc1ccc2[nH]cnc2c1F
InChIInChI=1S/C8H7FN2S/c1-12-6-3-2-5-8(7(6)9)11-4-10-5/h2-4H,1H3,(H,10,11)
InChIKeySUFHIZNFHQVWTG-UHFFFAOYSA-N
XLogP2.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methylsulfanyl-1H-benzimidazol-4-yl)methanol
CID 131076999
5-methylsulfanyl-1H-benzimidazole-4-carboxylic acid
CID 131053155
4-fluoro-5-methoxy-1H-benzimidazole
CID 130850479
4,5-difluoro-1H-benzimidazole;penta-1,3-diyne
CID 160711396
2-(4-fluoro-1H-benzimidazol-5-yl)acetic acid
CID 130882212
7-methylsulfanyl-1H-benzimidazol-4-ol
CID 130770663
4-fluoro-6-methylsulfanyl-1H-benzimidazole
CID 130838314
5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole
CID 118330653
2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine
CID 143985988
4-(bromomethyl)-5-(trifluoromethylsulfanyl)-1H-benzimidazole
CID 131305166
4-(bromomethyl)-5-fluoro-1H-benzimidazole
CID 130770591
4-fluoro-6-methyl-1H-benzimidazol-5-amine
CID 70645112

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methylsulfanyl-1H-benzimidazole?
The IUPAC name of 4-fluoro-5-methylsulfanyl-1H-benzimidazole (CID 131073113) is 4-fluoro-5-methylsulfanyl-1H-benzimidazole.
What is the SMILES notation for 4-fluoro-5-methylsulfanyl-1H-benzimidazole?
The canonical SMILES for 4-fluoro-5-methylsulfanyl-1H-benzimidazole is CSc1ccc2[nH]cnc2c1F.
What is the InChIKey of 4-fluoro-5-methylsulfanyl-1H-benzimidazole?
The InChIKey is SUFHIZNFHQVWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2S/c1-12-6-3-2-5-8(7(6)9)11-4-10-5/h2-4H,1H3,(H,10,11).
What are the key properties of 4-fluoro-5-methylsulfanyl-1H-benzimidazole?
4-fluoro-5-methylsulfanyl-1H-benzimidazole has a molecular weight of 182.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methylsulfanyl-1H-benzimidazole is sourced from PubChem (CID 131073113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).