1-[5-(2,6-difluoroanilino)pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

C19H10F5N5O2 — CID 68903412

IUPAC1-[5-(2,6-difluoroanilino)pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C19H10F5N5O2/c20-10-2-1-3-11(21)16(10)28-14-7-26-15(8-25-14)29-13-5-4-9(17(30)31)6-12(13)27-18(29)19(22,23)24/h1-8H,(H,25,28)(H,30,31)
InChIKeyUVPXWGGRQBMADH-UHFFFAOYSA-N
MW435.31 g/mol
LogP4.55
Rot. Bonds4

About 1-[5-(2,6-difluoroanilino)pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

1-[5-(2,6-difluoroanilino)pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid (PubChem CID 68903412) has the molecular formula C19H10F5N5O2 and a molecular weight of 435.31 g/mol. Its IUPAC name is 1-[5-(2,6-difluoroanilino)pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[5-(2,6-difluoroanilino)pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
PubChem CID68903412
Molecular FormulaC19H10F5N5O2
Molecular Weight435.31 g/mol
Exact Mass435.08
IUPAC Name1-[5-(2,6-difluoroanilino)pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C19H10F5N5O2/c20-10-2-1-3-11(21)16(10)28-14-7-26-15(8-25-14)29-13-5-4-9(17(30)31)6-12(13)27-18(29)19(22,23)24/h1-8H,(H,25,28)(H,30,31)
InChIKeyUVPXWGGRQBMADH-UHFFFAOYSA-N
XLogP4.55
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-difluoroanilino)pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-[5-(2,6-difluoroanilino)pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid (CID 68903412) is 1-[5-(2,6-difluoroanilino)pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-[5-(2,6-difluoroanilino)pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-[5-(2,6-difluoroanilino)pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(Nc2c(F)cccc2F)cn1.
What is the InChIKey of 1-[5-(2,6-difluoroanilino)pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
The InChIKey is UVPXWGGRQBMADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F5N5O2/c20-10-2-1-3-11(21)16(10)28-14-7-26-15(8-25-14)29-13-5-4-9(17(30)31)6-12(13)27-18(29)19(22,23)24/h1-8H,(H,25,28)(H,30,31).
What are the key properties of 1-[5-(2,6-difluoroanilino)pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid?
1-[5-(2,6-difluoroanilino)pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid has a molecular weight of 435.31 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-difluoroanilino)pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 68903412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).