ethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole

C13H19FN2O — CID 162380916

IUPACethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole
SMILESCC.Cc1cc2c(cc1F)N(C1COC1)CN2
InChIInChI=1S/C11H13FN2O.C2H6/c1-7-2-10-11(3-9(7)12)14(6-13-10)8-4-15-5-8;1-2/h2-3,8,13H,4-6H2,1H3;1-2H3
InChIKeyZXSOPCXUDSIQPR-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.75
Rot. Bonds1

About ethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole

ethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole (PubChem CID 162380916) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is ethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Nameethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole
PubChem CID162380916
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Nameethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole
SMILESCC.Cc1cc2c(cc1F)N(C1COC1)CN2
InChIInChI=1S/C11H13FN2O.C2H6/c1-7-2-10-11(3-9(7)12)14(6-13-10)8-4-15-5-8;1-2/h2-3,8,13H,4-6H2,1H3;1-2H3
InChIKeyZXSOPCXUDSIQPR-UHFFFAOYSA-N
XLogP2.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole?
The IUPAC name of ethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole (CID 162380916) is ethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole.
What is the SMILES notation for ethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole?
The canonical SMILES for ethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole is CC.Cc1cc2c(cc1F)N(C1COC1)CN2.
What is the InChIKey of ethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole?
The InChIKey is ZXSOPCXUDSIQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O.C2H6/c1-7-2-10-11(3-9(7)12)14(6-13-10)8-4-15-5-8;1-2/h2-3,8,13H,4-6H2,1H3;1-2H3.
What are the key properties of ethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole?
ethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole has a molecular weight of 238.31 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole is sourced from PubChem (CID 162380916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).