4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole

C13H6F5N3 — CID 114909123

IUPAC4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
SMILESFc1cc(F)c2nc(-c3ccc(C(F)(F)F)cn3)[nH]c2c1
InChIInChI=1S/C13H6F5N3/c14-7-3-8(15)11-10(4-7)20-12(21-11)9-2-1-6(5-19-9)13(16,17)18/h1-5H,(H,20,21)
InChIKeyNLLSMKMWPAPJTR-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.92
Rot. Bonds1

About 4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole

4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole (PubChem CID 114909123) has the molecular formula C13H6F5N3 and a molecular weight of 299.20 g/mol. Its IUPAC name is 4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
PubChem CID114909123
Molecular FormulaC13H6F5N3
Molecular Weight299.20 g/mol
Exact Mass299.05
IUPAC Name4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
SMILESFc1cc(F)c2nc(-c3ccc(C(F)(F)F)cn3)[nH]c2c1
InChIInChI=1S/C13H6F5N3/c14-7-3-8(15)11-10(4-7)20-12(21-11)9-2-1-6(5-19-9)13(16,17)18/h1-5H,(H,20,21)
InChIKeyNLLSMKMWPAPJTR-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine
CID 114909040
5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909125
2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81455041
3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one
CID 136710717
8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine
CID 114909130
6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909112
2-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine
CID 114909106
6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909124
2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine
CID 167261697
2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463378
4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole
CID 81462567
2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 81450045

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The IUPAC name of 4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole (CID 114909123) is 4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole is Fc1cc(F)c2nc(-c3ccc(C(F)(F)F)cn3)[nH]c2c1.
What is the InChIKey of 4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The InChIKey is NLLSMKMWPAPJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F5N3/c14-7-3-8(15)11-10(4-7)20-12(21-11)9-2-1-6(5-19-9)13(16,17)18/h1-5H,(H,20,21).
What are the key properties of 4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole has a molecular weight of 299.20 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 114909123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).