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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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).