5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole

C13H6Cl2F3N3 — CID 114909125

IUPAC5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)nc1
InChIInChI=1S/C13H6Cl2F3N3/c14-7-3-10-11(4-8(7)15)21-12(20-10)9-2-1-6(5-19-9)13(16,17)18/h1-5H,(H,20,21)
InChIKeyJXKRIUPLWRVIET-UHFFFAOYSA-N
MW332.11 g/mol
LogP4.95
Rot. Bonds1

About 5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole

5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole (PubChem CID 114909125) has the molecular formula C13H6Cl2F3N3 and a molecular weight of 332.11 g/mol. Its IUPAC name is 5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
PubChem CID114909125
Molecular FormulaC13H6Cl2F3N3
Molecular Weight332.11 g/mol
Exact Mass330.99
IUPAC Name5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)nc1
InChIInChI=1S/C13H6Cl2F3N3/c14-7-3-10-11(4-8(7)15)21-12(20-10)9-2-1-6(5-19-9)13(16,17)18/h1-5H,(H,20,21)
InChIKeyJXKRIUPLWRVIET-UHFFFAOYSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.11
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909112
6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909124
2-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine
CID 114909106
6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde
CID 18426842
4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909123
8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine
CID 114909130
5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 79631691
2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 64724542
6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine
CID 114909040
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 71299224

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole (CID 114909125) is 5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole is FC(F)(F)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)nc1.
What is the InChIKey of 5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The InChIKey is JXKRIUPLWRVIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F3N3/c14-7-3-10-11(4-8(7)15)21-12(20-10)9-2-1-6(5-19-9)13(16,17)18/h1-5H,(H,20,21).
What are the key properties of 5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole has a molecular weight of 332.11 g/mol, XLogP of 4.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 114909125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).