5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine

C19H14F4N6 — CID 118102100

IUPAC5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESCCc1nc2ccc(F)cc2n1-c1cnnc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H14F4N6/c1-2-16-26-14-8-5-12(20)9-15(14)29(16)17-10-24-28-18(27-17)25-13-6-3-11(4-7-13)19(21,22)23/h3-10H,2H2,1H3,(H,25,27,28)
InChIKeyJOGUXJMPOCIUQI-UHFFFAOYSA-N
MW402.36 g/mol
LogP4.67
Rot. Bonds4

About 5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine

5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (PubChem CID 118102100) has the molecular formula C19H14F4N6 and a molecular weight of 402.36 g/mol. Its IUPAC name is 5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
PubChem CID118102100
Molecular FormulaC19H14F4N6
Molecular Weight402.36 g/mol
Exact Mass402.12
IUPAC Name5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESCCc1nc2ccc(F)cc2n1-c1cnnc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H14F4N6/c1-2-16-26-14-8-5-12(20)9-15(14)29(16)17-10-24-28-18(27-17)25-13-6-3-11(4-7-13)19(21,22)23/h3-10H,2H2,1H3,(H,25,27,28)
InChIKeyJOGUXJMPOCIUQI-UHFFFAOYSA-N
XLogP4.67
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
CID 118095538
6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095108
5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-3-(2-ethylbenzimidazol-1-yl)-1-oxido-1,2,4-triazin-1-ium-5-amine;N-[4-(difluoromethoxy)phenyl]-5-(2-ethyl-6-fluorobenzimidazol-1-yl)-1,2,4-triazin-3-amine;3-(2-ethylbenzimidazol-1-yl)-1-oxido-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-1-ium-5-amine
CID 159353192
6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 118095453
3-N-(4-ethylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112964268
3-N-(4-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112965641
3-N-(2,4-difluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112968260
2-(2-ethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 74766788
N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945868
3-N-[4-(trifluoromethyl)phenyl]-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964921
6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 73427235
6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 118102023

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (CID 118102100) is 5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is CCc1nc2ccc(F)cc2n1-c1cnnc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The InChIKey is JOGUXJMPOCIUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N6/c1-2-16-26-14-8-5-12(20)9-15(14)29(16)17-10-24-28-18(27-17)25-13-6-3-11(4-7-13)19(21,22)23/h3-10H,2H2,1H3,(H,25,27,28).
What are the key properties of 5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine has a molecular weight of 402.36 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 118102100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).