2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole

C19H12F3N3OS — CID 19866742

IUPAC2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole
SMILESO=S(c1nc2c(C(F)(F)F)cccc2[nH]1)c1ccccc1-c1ccccn1
InChIInChI=1S/C19H12F3N3OS/c20-19(21,22)13-7-5-9-15-17(13)25-18(24-15)27(26)16-10-2-1-6-12(16)14-8-3-4-11-23-14/h1-11H,(H,24,25)
InChIKeyBWJGEYHECKHGRL-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.81
Rot. Bonds3

About 2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole

2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole (PubChem CID 19866742) has the molecular formula C19H12F3N3OS and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole
PubChem CID19866742
Molecular FormulaC19H12F3N3OS
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC Name2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole
SMILESO=S(c1nc2c(C(F)(F)F)cccc2[nH]1)c1ccccc1-c1ccccn1
InChIInChI=1S/C19H12F3N3OS/c20-19(21,22)13-7-5-9-15-17(13)25-18(24-15)27(26)16-10-2-1-6-12(16)14-8-3-4-11-23-14/h1-11H,(H,24,25)
InChIKeyBWJGEYHECKHGRL-UHFFFAOYSA-N
XLogP4.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole (CID 19866742) is 2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole is O=S(c1nc2c(C(F)(F)F)cccc2[nH]1)c1ccccc1-c1ccccn1.
What is the InChIKey of 2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is BWJGEYHECKHGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3OS/c20-19(21,22)13-7-5-9-15-17(13)25-18(24-15)27(26)16-10-2-1-6-12(16)14-8-3-4-11-23-14/h1-11H,(H,24,25).
What are the key properties of 2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole?
2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 387.39 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 19866742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).