4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole

C13H10F4N4O — CID 155961553

IUPAC4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole
SMILESCn1nc(Oc2nc3c(F)cccc3n2C)cc1C(F)(F)F
InChIInChI=1S/C13H10F4N4O/c1-20-8-5-3-4-7(14)11(8)18-12(20)22-10-6-9(13(15,16)17)21(2)19-10/h3-6H,1-2H3
InChIKeyRGRDPHDAQXNUSD-UHFFFAOYSA-N
MW314.24 g/mol
LogP3.26
Rot. Bonds2

About 4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole

4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole (PubChem CID 155961553) has the molecular formula C13H10F4N4O and a molecular weight of 314.24 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole
PubChem CID155961553
Molecular FormulaC13H10F4N4O
Molecular Weight314.24 g/mol
Exact Mass314.08
IUPAC Name4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole
SMILESCn1nc(Oc2nc3c(F)cccc3n2C)cc1C(F)(F)F
InChIInChI=1S/C13H10F4N4O/c1-20-8-5-3-4-7(14)11(8)18-12(20)22-10-6-9(13(15,16)17)21(2)19-10/h3-6H,1-2H3
InChIKeyRGRDPHDAQXNUSD-UHFFFAOYSA-N
XLogP3.26
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole?
The IUPAC name of 4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole (CID 155961553) is 4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole.
What is the SMILES notation for 4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole?
The canonical SMILES for 4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole is Cn1nc(Oc2nc3c(F)cccc3n2C)cc1C(F)(F)F.
What is the InChIKey of 4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole?
The InChIKey is RGRDPHDAQXNUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N4O/c1-20-8-5-3-4-7(14)11(8)18-12(20)22-10-6-9(13(15,16)17)21(2)19-10/h3-6H,1-2H3.
What are the key properties of 4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole?
4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole has a molecular weight of 314.24 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzimidazole is sourced from PubChem (CID 155961553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).