N-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide

C21H15F5N6O — CID 25231409

IUPACN-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCN(C)c1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C21H15F5N6O/c1-31(2)11-6-7-15-14(8-11)29-20(21(24,25)26)32(15)17-10-27-16(9-28-17)30-19(33)18-12(22)4-3-5-13(18)23/h3-10H,1-2H3,(H,27,30,33)
InChIKeyFQQCJIXPZGGXAK-UHFFFAOYSA-N
MW462.38 g/mol
LogP4.43
Rot. Bonds4

About N-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide

N-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 25231409) has the molecular formula C21H15F5N6O and a molecular weight of 462.38 g/mol. Its IUPAC name is N-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID25231409
Molecular FormulaC21H15F5N6O
Molecular Weight462.38 g/mol
Exact Mass462.12
IUPAC NameN-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCN(C)c1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C21H15F5N6O/c1-31(2)11-6-7-15-14(8-11)29-20(21(24,25)26)32(15)17-10-27-16(9-28-17)30-19(33)18-12(22)4-3-5-13(18)23/h3-10H,1-2H3,(H,27,30,33)
InChIKeyFQQCJIXPZGGXAK-UHFFFAOYSA-N
XLogP4.43
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide (CID 25231409) is N-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide is CN(C)c1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of N-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is FQQCJIXPZGGXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N6O/c1-31(2)11-6-7-15-14(8-11)29-20(21(24,25)26)32(15)17-10-27-16(9-28-17)30-19(33)18-12(22)4-3-5-13(18)23/h3-10H,1-2H3,(H,27,30,33).
What are the key properties of N-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide has a molecular weight of 462.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 25231409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).