4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole

C8H3Cl2F3N2 — CID 19232

IUPAC4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2c(Cl)c(Cl)ccc2[nH]1
InChIInChI=1S/C8H3Cl2F3N2/c9-3-1-2-4-6(5(3)10)15-7(14-4)8(11,12)13/h1-2H,(H,14,15)
InChIKeyKSROTSBULDYPKA-UHFFFAOYSA-N
MW255.03 g/mol
LogP3.89
Rot. Bonds

About 4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole

4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole (PubChem CID 19232) has the molecular formula C8H3Cl2F3N2 and a molecular weight of 255.03 g/mol. Its IUPAC name is 4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole
PubChem CID19232
Molecular FormulaC8H3Cl2F3N2
Molecular Weight255.03 g/mol
Exact Mass253.96
IUPAC Name4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2c(Cl)c(Cl)ccc2[nH]1
InChIInChI=1S/C8H3Cl2F3N2/c9-3-1-2-4-6(5(3)10)15-7(14-4)8(11,12)13/h1-2H,(H,14,15)
InChIKeyKSROTSBULDYPKA-UHFFFAOYSA-N
XLogP3.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.03
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole (CID 19232) is 4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1nc2c(Cl)c(Cl)ccc2[nH]1.
What is the InChIKey of 4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is KSROTSBULDYPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F3N2/c9-3-1-2-4-6(5(3)10)15-7(14-4)8(11,12)13/h1-2H,(H,14,15).
What are the key properties of 4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole?
4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 255.03 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 19232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).