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

C21H16F3N5O2 — CID 16742560

IUPACN-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccccc2C)cn1
InChIInChI=1S/C21H16F3N5O2/c1-12-5-3-4-6-14(12)19(30)28-17-10-26-18(11-25-17)29-16-8-7-13(31-2)9-15(16)27-20(29)21(22,23)24/h3-11H,1-2H3,(H,25,28,30)
InChIKeyVXYVFPITQINJHP-UHFFFAOYSA-N
MW427.39 g/mol
LogP4.40
Rot. Bonds4

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

N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide (PubChem CID 16742560) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide
PubChem CID16742560
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC NameN-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccccc2C)cn1
InChIInChI=1S/C21H16F3N5O2/c1-12-5-3-4-6-14(12)19(30)28-17-10-26-18(11-25-17)29-16-8-7-13(31-2)9-15(16)27-20(29)21(22,23)24/h3-11H,1-2H3,(H,25,28,30)
InChIKeyVXYVFPITQINJHP-UHFFFAOYSA-N
XLogP4.40
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide?
The IUPAC name of N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide (CID 16742560) is N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccccc2C)cn1.
What is the InChIKey of N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide?
The InChIKey is VXYVFPITQINJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c1-12-5-3-4-6-14(12)19(30)28-17-10-26-18(11-25-17)29-16-8-7-13(31-2)9-15(16)27-20(29)21(22,23)24/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]-2-methylbenzamide?
N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide has a molecular weight of 427.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbenzamide is sourced from PubChem (CID 16742560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).