2-(difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane

C11H16F2N2 — CID 169159771

IUPAC2-(difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane
SMILESCC.Cn1c(C(F)F)nc2c1=CCCC=2
InChIInChI=1S/C9H10F2N2.C2H6/c1-13-7-5-3-2-4-6(7)12-9(13)8(10)11;1-2/h4-5,8H,2-3H2,1H3;1-2H3
InChIKeyOPUDMGXOCGDZGL-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.74
Rot. Bonds1

About 2-(difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane

2-(difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane (PubChem CID 169159771) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane.

Molecular Properties

Compound Name2-(difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane
PubChem CID169159771
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane
SMILESCC.Cn1c(C(F)F)nc2c1=CCCC=2
InChIInChI=1S/C9H10F2N2.C2H6/c1-13-7-5-3-2-4-6(7)12-9(13)8(10)11;1-2/h4-5,8H,2-3H2,1H3;1-2H3
InChIKeyOPUDMGXOCGDZGL-UHFFFAOYSA-N
XLogP1.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane?
The IUPAC name of 2-(difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane (CID 169159771) is 2-(difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane.
What is the SMILES notation for 2-(difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane?
The canonical SMILES for 2-(difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane is CC.Cn1c(C(F)F)nc2c1=CCCC=2.
What is the InChIKey of 2-(difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane?
The InChIKey is OPUDMGXOCGDZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2.C2H6/c1-13-7-5-3-2-4-6(7)12-9(13)8(10)11;1-2/h4-5,8H,2-3H2,1H3;1-2H3.
What are the key properties of 2-(difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane?
2-(difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane has a molecular weight of 214.26 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane is sourced from PubChem (CID 169159771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).