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

C18H12F4N6 — CID 118095538

IUPAC5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESCc1nc2ccc(F)cc2n1-c1cnnc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H12F4N6/c1-10-24-14-7-4-12(19)8-15(14)28(10)16-9-23-27-17(26-16)25-13-5-2-11(3-6-13)18(20,21)22/h2-9H,1H3,(H,25,26,27)
InChIKeyMQENXRLFMLEFCH-UHFFFAOYSA-N
MW388.33 g/mol
LogP4.42
Rot. Bonds3

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

5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (PubChem CID 118095538) has the molecular formula C18H12F4N6 and a molecular weight of 388.33 g/mol. Its IUPAC name is 5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
PubChem CID118095538
Molecular FormulaC18H12F4N6
Molecular Weight388.33 g/mol
Exact Mass388.11
IUPAC Name5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESCc1nc2ccc(F)cc2n1-c1cnnc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H12F4N6/c1-10-24-14-7-4-12(19)8-15(14)28(10)16-9-23-27-17(26-16)25-13-5-2-11(3-6-13)18(20,21)22/h2-9H,1H3,(H,25,26,27)
InChIKeyMQENXRLFMLEFCH-UHFFFAOYSA-N
XLogP4.42
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
CID 118102100
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-(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-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 118102023
3-N-(4-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112965641
4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid
CID 122555256
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
methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate
CID 118094621
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
3-N-(2,4-difluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112968260

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (CID 118095538) is 5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is Cc1nc2ccc(F)cc2n1-c1cnnc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The InChIKey is MQENXRLFMLEFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N6/c1-10-24-14-7-4-12(19)8-15(14)28(10)16-9-23-27-17(26-16)25-13-5-2-11(3-6-13)18(20,21)22/h2-9H,1H3,(H,25,26,27).
What are the key properties of 5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine has a molecular weight of 388.33 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 118095538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).