6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C20H16F3N5O — CID 118095066

IUPAC6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCOc1ccc2nc(C)n(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1
InChIInChI=1S/C20H16F3N5O/c1-12-25-16-8-7-15(29-2)9-17(16)28(12)19-11-24-10-18(27-19)26-14-5-3-13(4-6-14)20(21,22)23/h3-11H,1-2H3,(H,26,27)
InChIKeyQVJPTKCWNHFLLJ-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.89
Rot. Bonds4

About 6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 118095066) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is 6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID118095066
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCOc1ccc2nc(C)n(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1
InChIInChI=1S/C20H16F3N5O/c1-12-25-16-8-7-15(29-2)9-17(16)28(12)19-11-24-10-18(27-19)26-14-5-3-13(4-6-14)20(21,22)23/h3-11H,1-2H3,(H,26,27)
InChIKeyQVJPTKCWNHFLLJ-UHFFFAOYSA-N
XLogP4.89
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 73427235
6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094765
6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095108
6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 118094365
6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094327
methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate
CID 118094621
4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid
CID 122555256
N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine
CID 118094951
6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095062
6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094427
5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
CID 118095538
6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)pyrazin-2-amine
CID 118094337

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 118095066) is 6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is COc1ccc2nc(C)n(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.
What is the InChIKey of 6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is QVJPTKCWNHFLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-12-25-16-8-7-15(29-2)9-17(16)28(12)19-11-24-10-18(27-19)26-14-5-3-13(4-6-14)20(21,22)23/h3-11H,1-2H3,(H,26,27).
What are the key properties of 6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 399.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 118095066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).