N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine

C19H15F3N6 — CID 118094951

IUPACN-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine
SMILESCNc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H15F3N6/c1-23-18-26-14-4-2-3-5-15(14)28(18)17-11-24-10-16(27-17)25-13-8-6-12(7-9-13)19(20,21)22/h2-11H,1H3,(H,23,26)(H,25,27)
InChIKeySFHFMSRFDWLDRC-UHFFFAOYSA-N
MW384.37 g/mol
LogP4.62
Rot. Bonds4

About N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine

N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine (PubChem CID 118094951) has the molecular formula C19H15F3N6 and a molecular weight of 384.37 g/mol. Its IUPAC name is N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine.

Molecular Properties

Compound NameN-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine
PubChem CID118094951
Molecular FormulaC19H15F3N6
Molecular Weight384.37 g/mol
Exact Mass384.13
IUPAC NameN-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine
SMILESCNc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H15F3N6/c1-23-18-26-14-4-2-3-5-15(14)28(18)17-11-24-10-16(27-17)25-13-8-6-12(7-9-13)19(20,21)22/h2-11H,1H3,(H,23,26)(H,25,27)
InChIKeySFHFMSRFDWLDRC-UHFFFAOYSA-N
XLogP4.62
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095114
[(1S)-1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethyl] acetate
CID 118101400
6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094327
6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 73427235
6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095066
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-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 118094837
6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095108
[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol
CID 118101422
6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094532

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine?
The IUPAC name of N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine (CID 118094951) is N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine.
What is the SMILES notation for N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine?
The canonical SMILES for N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine is CNc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine?
The InChIKey is SFHFMSRFDWLDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6/c1-23-18-26-14-4-2-3-5-15(14)28(18)17-11-24-10-16(27-17)25-13-8-6-12(7-9-13)19(20,21)22/h2-11H,1H3,(H,23,26)(H,25,27).
What are the key properties of N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine?
N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine has a molecular weight of 384.37 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine is sourced from PubChem (CID 118094951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).