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

C21H14F5N5O2 — CID 24751085

IUPACN-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-difluorobenzamide
SMILESCCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cc(F)ccc2F)cn1
InChIInChI=1S/C21H14F5N5O2/c1-2-33-12-4-6-16-15(8-12)29-20(21(24,25)26)31(16)18-10-27-17(9-28-18)30-19(32)13-7-11(22)3-5-14(13)23/h3-10H,2H2,1H3,(H,27,30,32)
InChIKeyPUHCUGBTTVUJAQ-UHFFFAOYSA-N
MW463.37 g/mol
LogP4.76
Rot. Bonds5

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

N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-difluorobenzamide (PubChem CID 24751085) has the molecular formula C21H14F5N5O2 and a molecular weight of 463.37 g/mol. Its IUPAC name is N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-difluorobenzamide
PubChem CID24751085
Molecular FormulaC21H14F5N5O2
Molecular Weight463.37 g/mol
Exact Mass463.11
IUPAC NameN-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-difluorobenzamide
SMILESCCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cc(F)ccc2F)cn1
InChIInChI=1S/C21H14F5N5O2/c1-2-33-12-4-6-16-15(8-12)29-20(21(24,25)26)31(16)18-10-27-17(9-28-18)30-19(32)13-7-11(22)3-5-14(13)23/h3-10H,2H2,1H3,(H,27,30,32)
InChIKeyPUHCUGBTTVUJAQ-UHFFFAOYSA-N
XLogP4.76
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 70313887
2,4,5-trifluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 58993848
5-chloro-2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 58993860
N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-dimethylbenzamide
CID 58993859
3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 58993862
N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide
CID 173170209
N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide
CID 58993841
[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate
CID 123463550
2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide
CID 143545663
3-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-4-nitrosobenzamide
CID 88571608
1-[5-[(2,6-difluorobenzoyl)amino]pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 66756590
N-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 25231409

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-difluorobenzamide?
The IUPAC name of N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-difluorobenzamide (CID 24751085) is N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-difluorobenzamide?
The canonical SMILES for N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-difluorobenzamide is CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cc(F)ccc2F)cn1.
What is the InChIKey of N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-difluorobenzamide?
The InChIKey is PUHCUGBTTVUJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5N5O2/c1-2-33-12-4-6-16-15(8-12)29-20(21(24,25)26)31(16)18-10-27-17(9-28-18)30-19(32)13-7-11(22)3-5-14(13)23/h3-10H,2H2,1H3,(H,27,30,32).
What are the key properties of N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-difluorobenzamide?
N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-difluorobenzamide has a molecular weight of 463.37 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-difluorobenzamide is sourced from PubChem (CID 24751085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).