6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole

C19H11ClF3N3 — CID 155555582

IUPAC6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1ccc(-c2ncccc2-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C19H11ClF3N3/c20-13-7-8-15-16(10-13)26-18(25-15)14-2-1-9-24-17(14)11-3-5-12(6-4-11)19(21,22)23/h1-10H,(H,25,26)
InChIKeyJKURXROJPHZLMK-UHFFFAOYSA-N
MW373.77 g/mol
LogP5.96
Rot. Bonds2

About 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole

6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole (PubChem CID 155555582) has the molecular formula C19H11ClF3N3 and a molecular weight of 373.77 g/mol. Its IUPAC name is 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole
PubChem CID155555582
Molecular FormulaC19H11ClF3N3
Molecular Weight373.77 g/mol
Exact Mass373.06
IUPAC Name6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1ccc(-c2ncccc2-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C19H11ClF3N3/c20-13-7-8-15-16(10-13)26-18(25-15)14-2-1-9-24-17(14)11-3-5-12(6-4-11)19(21,22)23/h1-10H,(H,25,26)
InChIKeyJKURXROJPHZLMK-UHFFFAOYSA-N
XLogP5.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.77
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole (CID 155555582) is 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole is FC(F)(F)c1ccc(-c2ncccc2-c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole?
The InChIKey is JKURXROJPHZLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N3/c20-13-7-8-15-16(10-13)26-18(25-15)14-2-1-9-24-17(14)11-3-5-12(6-4-11)19(21,22)23/h1-10H,(H,25,26).
What are the key properties of 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole?
6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole has a molecular weight of 373.77 g/mol, XLogP of 5.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 155555582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).