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

C18H12F5N7 — CID 118095559

IUPAC6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc2c(F)cc(F)cc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H12F5N7/c1-8-25-14-12(20)6-10(19)7-13(14)30(8)17-28-15(24)27-16(29-17)26-11-4-2-9(3-5-11)18(21,22)23/h2-7H,1H3,(H3,24,26,27,28,29)
InChIKeyRWDOISDNUXWUAR-UHFFFAOYSA-N
MW421.33 g/mol
LogP4.14
Rot. Bonds3

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

6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 118095559) has the molecular formula C18H12F5N7 and a molecular weight of 421.33 g/mol. Its IUPAC name is 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID118095559
Molecular FormulaC18H12F5N7
Molecular Weight421.33 g/mol
Exact Mass421.11
IUPAC Name6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc2c(F)cc(F)cc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H12F5N7/c1-8-25-14-12(20)6-10(19)7-13(14)30(8)17-28-15(24)27-16(29-17)26-11-4-2-9(3-5-11)18(21,22)23/h2-7H,1H3,(H3,24,26,27,28,29)
InChIKeyRWDOISDNUXWUAR-UHFFFAOYSA-N
XLogP4.14
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 118095559) is 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is Cc1nc2c(F)cc(F)cc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is RWDOISDNUXWUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N7/c1-8-25-14-12(20)6-10(19)7-13(14)30(8)17-28-15(24)27-16(29-17)26-11-4-2-9(3-5-11)18(21,22)23/h2-7H,1H3,(H3,24,26,27,28,29).
What are the key properties of 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 421.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118095559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).