1-(ethoxymethyl)-5,6-difluorobenzimidazole

C10H10F2N2O — CID 116620910

IUPAC1-(ethoxymethyl)-5,6-difluorobenzimidazole
SMILESCCOCn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C10H10F2N2O/c1-2-15-6-14-5-13-9-3-7(11)8(12)4-10(9)14/h3-5H,2,6H2,1H3
InChIKeyWCKZTYMGXUUPBN-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.31
Rot. Bonds3

About 1-(ethoxymethyl)-5,6-difluorobenzimidazole

1-(ethoxymethyl)-5,6-difluorobenzimidazole (PubChem CID 116620910) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-(ethoxymethyl)-5,6-difluorobenzimidazole.

Molecular Properties

Compound Name1-(ethoxymethyl)-5,6-difluorobenzimidazole
PubChem CID116620910
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name1-(ethoxymethyl)-5,6-difluorobenzimidazole
SMILESCCOCn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C10H10F2N2O/c1-2-15-6-14-5-13-9-3-7(11)8(12)4-10(9)14/h3-5H,2,6H2,1H3
InChIKeyWCKZTYMGXUUPBN-UHFFFAOYSA-N
XLogP2.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole
CID 102940721
(2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol
CID 129402667
5,6-difluoro-1-(2-methylsulfanylethyl)benzimidazole
CID 115578027
3-(5,6-difluorobenzimidazol-1-yl)propan-1-ol
CID 110892023
1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole
CID 115616694
5,6-dimethoxy-1-(propoxymethyl)benzimidazole
CID 66599858
1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole
CID 116620789
methyl 4-(5,6-difluorobenzimidazol-1-yl)-2-ethylbut-2-enoate
CID 77101061
1-[(1-ethylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole
CID 116620874
5,6-difluoro-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 112812727
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
5,6-difluoro-1-(2-propan-2-ylsulfonylethyl)benzimidazole
CID 106731638

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-5,6-difluorobenzimidazole?
The IUPAC name of 1-(ethoxymethyl)-5,6-difluorobenzimidazole (CID 116620910) is 1-(ethoxymethyl)-5,6-difluorobenzimidazole.
What is the SMILES notation for 1-(ethoxymethyl)-5,6-difluorobenzimidazole?
The canonical SMILES for 1-(ethoxymethyl)-5,6-difluorobenzimidazole is CCOCn1cnc2cc(F)c(F)cc21.
What is the InChIKey of 1-(ethoxymethyl)-5,6-difluorobenzimidazole?
The InChIKey is WCKZTYMGXUUPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c1-2-15-6-14-5-13-9-3-7(11)8(12)4-10(9)14/h3-5H,2,6H2,1H3.
What are the key properties of 1-(ethoxymethyl)-5,6-difluorobenzimidazole?
1-(ethoxymethyl)-5,6-difluorobenzimidazole has a molecular weight of 212.20 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-5,6-difluorobenzimidazole is sourced from PubChem (CID 116620910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).