2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole

C13H7ClF3N3 — CID 71299224

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1cnc(-c2nc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C13H7ClF3N3/c14-8-5-7(13(15,16)17)6-18-11(8)12-19-9-3-1-2-4-10(9)20-12/h1-6H,(H,19,20)
InChIKeyVUOIENCKNVPLDS-UHFFFAOYSA-N
MW297.67 g/mol
LogP4.30
Rot. Bonds1

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole (PubChem CID 71299224) has the molecular formula C13H7ClF3N3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
PubChem CID71299224
Molecular FormulaC13H7ClF3N3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1cnc(-c2nc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C13H7ClF3N3/c14-8-5-7(13(15,16)17)6-18-11(8)12-19-9-3-1-2-4-10(9)20-12/h1-6H,(H,19,20)
InChIKeyVUOIENCKNVPLDS-UHFFFAOYSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole (CID 71299224) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole is FC(F)(F)c1cnc(-c2nc3ccccc3[nH]2)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The InChIKey is VUOIENCKNVPLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3/c14-8-5-7(13(15,16)17)6-18-11(8)12-19-9-3-1-2-4-10(9)20-12/h1-6H,(H,19,20).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole has a molecular weight of 297.67 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 71299224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).