1-ethyl-6,7-difluorobenzimidazole

C9H8F2N2 — CID 54758749

IUPAC1-ethyl-6,7-difluorobenzimidazole
SMILESCCn1cnc2ccc(F)c(F)c21
InChIInChI=1S/C9H8F2N2/c1-2-13-5-12-7-4-3-6(10)8(11)9(7)13/h3-5H,2H2,1H3
InChIKeyXAZWKKRGQRHLPL-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.33
Rot. Bonds1

About 1-ethyl-6,7-difluorobenzimidazole

1-ethyl-6,7-difluorobenzimidazole (PubChem CID 54758749) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 1-ethyl-6,7-difluorobenzimidazole.

Molecular Properties

Compound Name1-ethyl-6,7-difluorobenzimidazole
PubChem CID54758749
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name1-ethyl-6,7-difluorobenzimidazole
SMILESCCn1cnc2ccc(F)c(F)c21
InChIInChI=1S/C9H8F2N2/c1-2-13-5-12-7-4-3-6(10)8(11)9(7)13/h3-5H,2H2,1H3
InChIKeyXAZWKKRGQRHLPL-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,7-difluorobenzimidazole?
The IUPAC name of 1-ethyl-6,7-difluorobenzimidazole (CID 54758749) is 1-ethyl-6,7-difluorobenzimidazole.
What is the SMILES notation for 1-ethyl-6,7-difluorobenzimidazole?
The canonical SMILES for 1-ethyl-6,7-difluorobenzimidazole is CCn1cnc2ccc(F)c(F)c21.
What is the InChIKey of 1-ethyl-6,7-difluorobenzimidazole?
The InChIKey is XAZWKKRGQRHLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2/c1-2-13-5-12-7-4-3-6(10)8(11)9(7)13/h3-5H,2H2,1H3.
What are the key properties of 1-ethyl-6,7-difluorobenzimidazole?
1-ethyl-6,7-difluorobenzimidazole has a molecular weight of 182.17 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,7-difluorobenzimidazole is sourced from PubChem (CID 54758749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).