4,7-dichloro-1-(trifluoromethyl)benzimidazole

C8H3Cl2F3N2 — CID 23046596

IUPAC4,7-dichloro-1-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)n1cnc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C8H3Cl2F3N2/c9-4-1-2-5(10)7-6(4)14-3-15(7)8(11,12)13/h1-3H
InChIKeyAYXQXZNWKRVCKT-UHFFFAOYSA-N
MW255.03 g/mol
LogP3.82
Rot. Bonds

About 4,7-dichloro-1-(trifluoromethyl)benzimidazole

4,7-dichloro-1-(trifluoromethyl)benzimidazole (PubChem CID 23046596) has the molecular formula C8H3Cl2F3N2 and a molecular weight of 255.03 g/mol. Its IUPAC name is 4,7-dichloro-1-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name4,7-dichloro-1-(trifluoromethyl)benzimidazole
PubChem CID23046596
Molecular FormulaC8H3Cl2F3N2
Molecular Weight255.03 g/mol
Exact Mass253.96
IUPAC Name4,7-dichloro-1-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)n1cnc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C8H3Cl2F3N2/c9-4-1-2-5(10)7-6(4)14-3-15(7)8(11,12)13/h1-3H
InChIKeyAYXQXZNWKRVCKT-UHFFFAOYSA-N
XLogP3.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.03
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-1-(trifluoromethyl)benzimidazole?
The IUPAC name of 4,7-dichloro-1-(trifluoromethyl)benzimidazole (CID 23046596) is 4,7-dichloro-1-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 4,7-dichloro-1-(trifluoromethyl)benzimidazole?
The canonical SMILES for 4,7-dichloro-1-(trifluoromethyl)benzimidazole is FC(F)(F)n1cnc2c(Cl)ccc(Cl)c21.
What is the InChIKey of 4,7-dichloro-1-(trifluoromethyl)benzimidazole?
The InChIKey is AYXQXZNWKRVCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F3N2/c9-4-1-2-5(10)7-6(4)14-3-15(7)8(11,12)13/h1-3H.
What are the key properties of 4,7-dichloro-1-(trifluoromethyl)benzimidazole?
4,7-dichloro-1-(trifluoromethyl)benzimidazole has a molecular weight of 255.03 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-1-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 23046596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).