5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole

C9H8F2N2 — CID 134239362

IUPAC5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole
SMILESCn1cnc2cc(F)c(CF)cc21
InChIInChI=1S/C9H8F2N2/c1-13-5-12-8-3-7(11)6(4-10)2-9(8)13/h2-3,5H,4H2,1H3
InChIKeyPPLREWIFMWXUHU-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.18
Rot. Bonds1

About 5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole

5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole (PubChem CID 134239362) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole
PubChem CID134239362
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole
SMILESCn1cnc2cc(F)c(CF)cc21
InChIInChI=1S/C9H8F2N2/c1-13-5-12-8-3-7(11)6(4-10)2-9(8)13/h2-3,5H,4H2,1H3
InChIKeyPPLREWIFMWXUHU-UHFFFAOYSA-N
XLogP2.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole?
The IUPAC name of 5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole (CID 134239362) is 5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole.
What is the SMILES notation for 5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole?
The canonical SMILES for 5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole is Cn1cnc2cc(F)c(CF)cc21.
What is the InChIKey of 5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole?
The InChIKey is PPLREWIFMWXUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2/c1-13-5-12-8-3-7(11)6(4-10)2-9(8)13/h2-3,5H,4H2,1H3.
What are the key properties of 5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole?
5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole has a molecular weight of 182.17 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(fluoromethyl)-1-methylbenzimidazole is sourced from PubChem (CID 134239362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).