N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide

C21H16F3N5O2S — CID 58993841

IUPACN-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccc(SC)c2)cn1
InChIInChI=1S/C21H16F3N5O2S/c1-31-13-6-7-16-15(9-13)27-20(21(22,23)24)29(16)18-11-25-17(10-26-18)28-19(30)12-4-3-5-14(8-12)32-2/h3-11H,1-2H3,(H,25,28,30)
InChIKeyZDMSJHRCXJUWTN-UHFFFAOYSA-N
MW459.45 g/mol
LogP4.82
Rot. Bonds5

About N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide

N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide (PubChem CID 58993841) has the molecular formula C21H16F3N5O2S and a molecular weight of 459.45 g/mol. Its IUPAC name is N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide
PubChem CID58993841
Molecular FormulaC21H16F3N5O2S
Molecular Weight459.45 g/mol
Exact Mass459.10
IUPAC NameN-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccc(SC)c2)cn1
InChIInChI=1S/C21H16F3N5O2S/c1-31-13-6-7-16-15(9-13)27-20(21(22,23)24)29(16)18-11-25-17(10-26-18)28-19(30)12-4-3-5-14(8-12)32-2/h3-11H,1-2H3,(H,25,28,30)
InChIKeyZDMSJHRCXJUWTN-UHFFFAOYSA-N
XLogP4.82
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 58993862
2,4,5-trifluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 58993848
3-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-4-nitrosobenzamide
CID 88571608
N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-dimethylbenzamide
CID 58993859
3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
CID 24850023
5-chloro-2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 58993860
1-[5-[(2,6-difluorobenzoyl)amino]pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 66756590
3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 11619091
N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-difluorobenzamide
CID 24751085
N-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 25231409
2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 70313887
2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide
CID 143545663

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide?
The IUPAC name of N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide (CID 58993841) is N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide.
What is the SMILES notation for N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide?
The canonical SMILES for N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccc(SC)c2)cn1.
What is the InChIKey of N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide?
The InChIKey is ZDMSJHRCXJUWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2S/c1-31-13-6-7-16-15(9-13)27-20(21(22,23)24)29(16)18-11-25-17(10-26-18)28-19(30)12-4-3-5-14(8-12)32-2/h3-11H,1-2H3,(H,25,28,30).
What are the key properties of N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide?
N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide has a molecular weight of 459.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide is sourced from PubChem (CID 58993841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).