1-(2,2-difluoroethoxy)benzimidazole

C9H8F2N2O — CID 173023567

IUPAC1-(2,2-difluoroethoxy)benzimidazole
SMILESFC(F)COn1cnc2ccccc21
InChIInChI=1S/C9H8F2N2O/c10-9(11)5-14-13-6-12-7-3-1-2-4-8(7)13/h1-4,6,9H,5H2
InChIKeyCHINOWBDSMGQTC-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.73
Rot. Bonds3

About 1-(2,2-difluoroethoxy)benzimidazole

1-(2,2-difluoroethoxy)benzimidazole (PubChem CID 173023567) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)benzimidazole.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)benzimidazole
PubChem CID173023567
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name1-(2,2-difluoroethoxy)benzimidazole
SMILESFC(F)COn1cnc2ccccc21
InChIInChI=1S/C9H8F2N2O/c10-9(11)5-14-13-6-12-7-3-1-2-4-8(7)13/h1-4,6,9H,5H2
InChIKeyCHINOWBDSMGQTC-UHFFFAOYSA-N
XLogP1.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine
CID 139631683
1-prop-2-enoxybenzimidazole
CID 45078219
1-(cyclopropylmethoxy)benzimidazole
CID 67806011
1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride
CID 161221509
benzimidazol-1-yloxyboronic acid
CID 160806314
bis(benzimidazol-1-yl) carbonate
CID 57193653
benzimidazol-1-yl sulfite
CID 57025015
1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole
CID 15397533
benzimidazol-1-yl(tetraethyl)-λ5-phosphane
CID 140917103
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
1-methylbenzimidazole;propane
CID 91130597
1-(dichloromethyl)benzimidazole
CID 69189311

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)benzimidazole?
The IUPAC name of 1-(2,2-difluoroethoxy)benzimidazole (CID 173023567) is 1-(2,2-difluoroethoxy)benzimidazole.
What is the SMILES notation for 1-(2,2-difluoroethoxy)benzimidazole?
The canonical SMILES for 1-(2,2-difluoroethoxy)benzimidazole is FC(F)COn1cnc2ccccc21.
What is the InChIKey of 1-(2,2-difluoroethoxy)benzimidazole?
The InChIKey is CHINOWBDSMGQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c10-9(11)5-14-13-6-12-7-3-1-2-4-8(7)13/h1-4,6,9H,5H2.
What are the key properties of 1-(2,2-difluoroethoxy)benzimidazole?
1-(2,2-difluoroethoxy)benzimidazole has a molecular weight of 198.17 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)benzimidazole is sourced from PubChem (CID 173023567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).