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

C19H15F4N7 — CID 118095453

IUPAC6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1nc2cc(F)ccc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H15F4N7/c1-2-15-26-13-9-11(20)5-8-14(13)30(15)18-28-16(24)27-17(29-18)25-12-6-3-10(4-7-12)19(21,22)23/h3-9H,2H2,1H3,(H3,24,25,27,28,29)
InChIKeyUNTYMIUKNBNQGT-UHFFFAOYSA-N
MW417.37 g/mol
LogP4.26
Rot. Bonds4

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

6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 118095453) has the molecular formula C19H15F4N7 and a molecular weight of 417.37 g/mol. Its IUPAC name is 6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID118095453
Molecular FormulaC19H15F4N7
Molecular Weight417.37 g/mol
Exact Mass417.13
IUPAC Name6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1nc2cc(F)ccc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H15F4N7/c1-2-15-26-13-9-11(20)5-8-14(13)30(15)18-28-16(24)27-17(29-18)25-12-6-3-10(4-7-12)19(21,22)23/h3-9H,2H2,1H3,(H3,24,25,27,28,29)
InChIKeyUNTYMIUKNBNQGT-UHFFFAOYSA-N
XLogP4.26
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 118102023
6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 77050703
6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 118095559
2-(2-ethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 74766788
2-N-(4-chlorophenyl)-6-(2-ethyl-4,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 118101930
2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 118095434
5-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
CID 118102100
6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 118101931
6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 118102090
6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095108
2-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 159653551
6-ethoxy-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80758411

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 118095453) is 6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is CCc1nc2cc(F)ccc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UNTYMIUKNBNQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N7/c1-2-15-26-13-9-11(20)5-8-14(13)30(15)18-28-16(24)27-17(29-18)25-12-6-3-10(4-7-12)19(21,22)23/h3-9H,2H2,1H3,(H3,24,25,27,28,29).
What are the key properties of 6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 417.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118095453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).