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

C15H12F3N3 — CID 114909124

IUPAC6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
SMILESCCc1ccc2nc(-c3ccc(C(F)(F)F)cn3)[nH]c2c1
InChIInChI=1S/C15H12F3N3/c1-2-9-3-5-11-13(7-9)21-14(20-11)12-6-4-10(8-19-12)15(16,17)18/h3-8H,2H2,1H3,(H,20,21)
InChIKeyJNMGISGIYHJATC-UHFFFAOYSA-N
MW291.28 g/mol
LogP4.21
Rot. Bonds2

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

6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole (PubChem CID 114909124) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
PubChem CID114909124
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
SMILESCCc1ccc2nc(-c3ccc(C(F)(F)F)cn3)[nH]c2c1
InChIInChI=1S/C15H12F3N3/c1-2-9-3-5-11-13(7-9)21-14(20-11)12-6-4-10(8-19-12)15(16,17)18/h3-8H,2H2,1H3,(H,20,21)
InChIKeyJNMGISGIYHJATC-UHFFFAOYSA-N
XLogP4.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 54.21
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-heptyl-2-pyridinyl)-1H-benzimidazole
CID 142677705
5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909125
2-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine
CID 114909106
[2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine
CID 113436420
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine
CID 114909130
4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909123
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 162572356
2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
CID 135875995
2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136813316
bis(2-(5-ethoxy-2-pyridinyl)-6-(trifluoromethoxy)-1H-benzimidazole);yttrium
CID 161029747

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The IUPAC name of 6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole (CID 114909124) is 6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole is CCc1ccc2nc(-c3ccc(C(F)(F)F)cn3)[nH]c2c1.
What is the InChIKey of 6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The InChIKey is JNMGISGIYHJATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c1-2-9-3-5-11-13(7-9)21-14(20-11)12-6-4-10(8-19-12)15(16,17)18/h3-8H,2H2,1H3,(H,20,21).
What are the key properties of 6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole has a molecular weight of 291.28 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 114909124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).