1-(difluoromethyl)-4-methoxybenzimidazole

C9H8F2N2O — CID 66698151

IUPAC1-(difluoromethyl)-4-methoxybenzimidazole
SMILESCOc1cccc2c1ncn2C(F)F
InChIInChI=1S/C9H8F2N2O/c1-14-7-4-2-3-6-8(7)12-5-13(6)9(10)11/h2-5,9H,1H3
InChIKeyKEUSWRLVASEDBD-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.44
Rot. Bonds2

About 1-(difluoromethyl)-4-methoxybenzimidazole

1-(difluoromethyl)-4-methoxybenzimidazole (PubChem CID 66698151) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-methoxybenzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-methoxybenzimidazole
PubChem CID66698151
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name1-(difluoromethyl)-4-methoxybenzimidazole
SMILESCOc1cccc2c1ncn2C(F)F
InChIInChI=1S/C9H8F2N2O/c1-14-7-4-2-3-6-8(7)12-5-13(6)9(10)11/h2-5,9H,1H3
InChIKeyKEUSWRLVASEDBD-UHFFFAOYSA-N
XLogP2.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-methoxybenzimidazole?
The IUPAC name of 1-(difluoromethyl)-4-methoxybenzimidazole (CID 66698151) is 1-(difluoromethyl)-4-methoxybenzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-4-methoxybenzimidazole?
The canonical SMILES for 1-(difluoromethyl)-4-methoxybenzimidazole is COc1cccc2c1ncn2C(F)F.
What is the InChIKey of 1-(difluoromethyl)-4-methoxybenzimidazole?
The InChIKey is KEUSWRLVASEDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-14-7-4-2-3-6-8(7)12-5-13(6)9(10)11/h2-5,9H,1H3.
What are the key properties of 1-(difluoromethyl)-4-methoxybenzimidazole?
1-(difluoromethyl)-4-methoxybenzimidazole has a molecular weight of 198.17 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-methoxybenzimidazole is sourced from PubChem (CID 66698151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).