1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole

C11H4Cl2F3N5 — CID 824435

IUPAC1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1nc2ccccc2n1-c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H4Cl2F3N5/c12-8-18-9(13)20-10(19-8)21-6-4-2-1-3-5(6)17-7(21)11(14,15)16/h1-4H
InChIKeyUCSKYJXQMWXQBS-UHFFFAOYSA-N
MW334.09 g/mol
LogP3.54
Rot. Bonds1

About 1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole

1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole (PubChem CID 824435) has the molecular formula C11H4Cl2F3N5 and a molecular weight of 334.09 g/mol. Its IUPAC name is 1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole
PubChem CID824435
Molecular FormulaC11H4Cl2F3N5
Molecular Weight334.09 g/mol
Exact Mass332.98
IUPAC Name1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1nc2ccccc2n1-c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H4Cl2F3N5/c12-8-18-9(13)20-10(19-8)21-6-4-2-1-3-5(6)17-7(21)11(14,15)16/h1-4H
InChIKeyUCSKYJXQMWXQBS-UHFFFAOYSA-N
XLogP3.54
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.09
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole (CID 824435) is 1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole is FC(F)(F)c1nc2ccccc2n1-c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole?
The InChIKey is UCSKYJXQMWXQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl2F3N5/c12-8-18-9(13)20-10(19-8)21-6-4-2-1-3-5(6)17-7(21)11(14,15)16/h1-4H.
What are the key properties of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole?
1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole has a molecular weight of 334.09 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 824435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).