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

C18H13F4N7O — CID 118102090

IUPAC6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc2ccc(F)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C18H13F4N7O/c1-9-24-13-7-2-10(19)8-14(13)29(9)17-27-15(23)26-16(28-17)25-11-3-5-12(6-4-11)30-18(20,21)22/h2-8H,1H3,(H3,23,25,26,27,28)
InChIKeyOGPVODASJGDLMT-UHFFFAOYSA-N
MW419.34 g/mol
LogP3.88
Rot. Bonds4

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

6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 118102090) has the molecular formula C18H13F4N7O and a molecular weight of 419.34 g/mol. Its IUPAC name is 6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID118102090
Molecular FormulaC18H13F4N7O
Molecular Weight419.34 g/mol
Exact Mass419.11
IUPAC Name6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc2ccc(F)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C18H13F4N7O/c1-9-24-13-7-2-10(19)8-14(13)29(9)17-27-15(23)26-16(28-17)25-11-3-5-12(6-4-11)30-18(20,21)22/h2-8H,1H3,(H3,23,25,26,27,28)
InChIKeyOGPVODASJGDLMT-UHFFFAOYSA-N
XLogP3.88
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.34
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine (CID 118102090) is 6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine is Cc1nc2ccc(F)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OGPVODASJGDLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N7O/c1-9-24-13-7-2-10(19)8-14(13)29(9)17-27-15(23)26-16(28-17)25-11-3-5-12(6-4-11)30-18(20,21)22/h2-8H,1H3,(H3,23,25,26,27,28).
What are the key properties of 6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine?
6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 419.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118102090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).