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6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine

C20H17F2N5 — CID 118101514

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine
SMILESCc1ccc(Nc2cc(N)cc(-n3c(C)nc4cc(F)c(F)cc43)n2)cc1
InChIInChI=1S/C20H17F2N5/c1-11-3-5-14(6-4-11)25-19-7-13(23)8-20(26-19)27-12(2)24-17-9-15(21)16(22)10-18(17)27/h3-10H,1-2H3,(H3,23,25,26)
InChIKeyAKKYJDLUBZAKHD-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.64
Rot. Bonds3

About 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine

6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine (PubChem CID 118101514) has the molecular formula C20H17F2N5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine
PubChem CID118101514
Molecular FormulaC20H17F2N5
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine
SMILESCc1ccc(Nc2cc(N)cc(-n3c(C)nc4cc(F)c(F)cc43)n2)cc1
InChIInChI=1S/C20H17F2N5/c1-11-3-5-14(6-4-11)25-19-7-13(23)8-20(26-19)27-12(2)24-17-9-15(21)16(22)10-18(17)27/h3-10H,1-2H3,(H3,23,25,26)
InChIKeyAKKYJDLUBZAKHD-UHFFFAOYSA-N
XLogP4.64
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine?
The IUPAC name of 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine (CID 118101514) is 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine.
What is the SMILES notation for 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine?
The canonical SMILES for 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine is Cc1ccc(Nc2cc(N)cc(-n3c(C)nc4cc(F)c(F)cc43)n2)cc1.
What is the InChIKey of 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine?
The InChIKey is AKKYJDLUBZAKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5/c1-11-3-5-14(6-4-11)25-19-7-13(23)8-20(26-19)27-12(2)24-17-9-15(21)16(22)10-18(17)27/h3-10H,1-2H3,(H3,23,25,26).
What are the key properties of 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine?
6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine has a molecular weight of 365.39 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine is sourced from PubChem (CID 118101514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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