N-[4-(trifluoromethoxy)phenyl]-6-(2,5,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine

C21H18F3N5O — CID 118094391

IUPACN-[4-(trifluoromethoxy)phenyl]-6-(2,5,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine
SMILESCc1cc2nc(C)n(-c3cncc(Nc4ccc(OC(F)(F)F)cc4)n3)c2cc1C
InChIInChI=1S/C21H18F3N5O/c1-12-8-17-18(9-13(12)2)29(14(3)26-17)20-11-25-10-19(28-20)27-15-4-6-16(7-5-15)30-21(22,23)24/h4-11H,1-3H3,(H,27,28)
InChIKeyUNKBJSPYWCZURS-UHFFFAOYSA-N
MW413.40 g/mol
LogP5.38
Rot. Bonds4

About N-[4-(trifluoromethoxy)phenyl]-6-(2,5,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine

N-[4-(trifluoromethoxy)phenyl]-6-(2,5,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine (PubChem CID 118094391) has the molecular formula C21H18F3N5O and a molecular weight of 413.40 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-6-(2,5,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-6-(2,5,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine
PubChem CID118094391
Molecular FormulaC21H18F3N5O
Molecular Weight413.40 g/mol
Exact Mass413.15
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-6-(2,5,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine
SMILESCc1cc2nc(C)n(-c3cncc(Nc4ccc(OC(F)(F)F)cc4)n3)c2cc1C
InChIInChI=1S/C21H18F3N5O/c1-12-8-17-18(9-13(12)2)29(14(3)26-17)20-11-25-10-19(28-20)27-15-4-6-16(7-5-15)30-21(22,23)24/h4-11H,1-3H3,(H,27,28)
InChIKeyUNKBJSPYWCZURS-UHFFFAOYSA-N
XLogP5.38
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.40
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-6-(2,5,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-6-(2,5,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine (CID 118094391) is N-[4-(trifluoromethoxy)phenyl]-6-(2,5,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-6-(2,5,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-6-(2,5,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine is Cc1cc2nc(C)n(-c3cncc(Nc4ccc(OC(F)(F)F)cc4)n3)c2cc1C.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-6-(2,5,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine?
The InChIKey is UNKBJSPYWCZURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O/c1-12-8-17-18(9-13(12)2)29(14(3)26-17)20-11-25-10-19(28-20)27-15-4-6-16(7-5-15)30-21(22,23)24/h4-11H,1-3H3,(H,27,28).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-6-(2,5,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine?
N-[4-(trifluoromethoxy)phenyl]-6-(2,5,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine has a molecular weight of 413.40 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-6-(2,5,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 118094391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).