6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C18H15F2N7O — CID 118102068

IUPAC6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(-n3c(C)nc4c(F)cc(F)cc43)n2)cc1
InChIInChI=1S/C18H15F2N7O/c1-9-22-15-13(20)7-10(19)8-14(15)27(9)18-25-16(21)24-17(26-18)23-11-3-5-12(28-2)6-4-11/h3-8H,1-2H3,(H3,21,23,24,25,26)
InChIKeyLOHIAQGPMFQFCF-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.13
Rot. Bonds4

About 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 118102068) has the molecular formula C18H15F2N7O and a molecular weight of 383.36 g/mol. Its IUPAC name is 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID118102068
Molecular FormulaC18H15F2N7O
Molecular Weight383.36 g/mol
Exact Mass383.13
IUPAC Name6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(-n3c(C)nc4c(F)cc(F)cc43)n2)cc1
InChIInChI=1S/C18H15F2N7O/c1-9-22-15-13(20)7-10(19)8-14(15)27(9)18-25-16(21)24-17(26-18)23-11-3-5-12(28-2)6-4-11/h3-8H,1-2H3,(H3,21,23,24,25,26)
InChIKeyLOHIAQGPMFQFCF-UHFFFAOYSA-N
XLogP3.13
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 118102068) is 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(N)nc(-n3c(C)nc4c(F)cc(F)cc43)n2)cc1.
What is the InChIKey of 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LOHIAQGPMFQFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N7O/c1-9-22-15-13(20)7-10(19)8-14(15)27(9)18-25-16(21)24-17(26-18)23-11-3-5-12(28-2)6-4-11/h3-8H,1-2H3,(H3,21,23,24,25,26).
What are the key properties of 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 383.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118102068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).