2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide

C22H14F5N5O2 — CID 70313887

IUPAC2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
SMILESC=C(OC)c1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cc(F)ccc2F)cn1
InChIInChI=1S/C22H14F5N5O2/c1-11(34-2)12-3-6-17-16(7-12)30-21(22(25,26)27)32(17)19-10-28-18(9-29-19)31-20(33)14-8-13(23)4-5-15(14)24/h3-10H,1H2,2H3,(H,28,31,33)
InChIKeyXUBDDWOSVNKHHI-UHFFFAOYSA-N
MW475.38 g/mol
LogP4.98
Rot. Bonds5

About 2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide

2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide (PubChem CID 70313887) has the molecular formula C22H14F5N5O2 and a molecular weight of 475.38 g/mol. Its IUPAC name is 2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
PubChem CID70313887
Molecular FormulaC22H14F5N5O2
Molecular Weight475.38 g/mol
Exact Mass475.11
IUPAC Name2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
SMILESC=C(OC)c1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cc(F)ccc2F)cn1
InChIInChI=1S/C22H14F5N5O2/c1-11(34-2)12-3-6-17-16(7-12)30-21(22(25,26)27)32(17)19-10-28-18(9-29-19)31-20(33)14-8-13(23)4-5-15(14)24/h3-10H,1H2,2H3,(H,28,31,33)
InChIKeyXUBDDWOSVNKHHI-UHFFFAOYSA-N
XLogP4.98
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide (CID 70313887) is 2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide is C=C(OC)c1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cc(F)ccc2F)cn1.
What is the InChIKey of 2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
The InChIKey is XUBDDWOSVNKHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F5N5O2/c1-11(34-2)12-3-6-17-16(7-12)30-21(22(25,26)27)32(17)19-10-28-18(9-29-19)31-20(33)14-8-13(23)4-5-15(14)24/h3-10H,1H2,2H3,(H,28,31,33).
What are the key properties of 2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide has a molecular weight of 475.38 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 70313887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).