6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine

C20H15F4N5 — CID 122580349

IUPAC6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine
SMILESCc1nc2cc(F)c(F)cc2n1-c1cc(N)c(F)c(Nc2ccc(CF)cc2)n1
InChIInChI=1S/C20H15F4N5/c1-10-26-16-6-13(22)14(23)7-17(16)29(10)18-8-15(25)19(24)20(28-18)27-12-4-2-11(9-21)3-5-12/h2-8H,9H2,1H3,(H3,25,27,28)
InChIKeyFPNVVTATYQECIC-UHFFFAOYSA-N
MW401.37 g/mol
LogP4.94
Rot. Bonds4

About 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine

6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine (PubChem CID 122580349) has the molecular formula C20H15F4N5 and a molecular weight of 401.37 g/mol. Its IUPAC name is 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine
PubChem CID122580349
Molecular FormulaC20H15F4N5
Molecular Weight401.37 g/mol
Exact Mass401.13
IUPAC Name6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine
SMILESCc1nc2cc(F)c(F)cc2n1-c1cc(N)c(F)c(Nc2ccc(CF)cc2)n1
InChIInChI=1S/C20H15F4N5/c1-10-26-16-6-13(22)14(23)7-17(16)29(10)18-8-15(25)19(24)20(28-18)27-12-4-2-11(9-21)3-5-12/h2-8H,9H2,1H3,(H3,25,27,28)
InChIKeyFPNVVTATYQECIC-UHFFFAOYSA-N
XLogP4.94
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine
CID 118101514
2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine
CID 118101521
2-(6-amino-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 90182221
6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 73427235
2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile
CID 118095153
3-[4-amino-5-fluoro-6-(4-methylanilino)pyrimidin-2-yl]-2-methylbenzimidazole-5-carbonitrile
CID 90177114
5-fluoro-2-(6-isocyano-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 123164424
6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 122425052
4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 163578562
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-4,6-difluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157467312
5-fluoro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 74766646
[1-[4-amino-5-fluoro-6-(4-methoxyanilino)pyrimidin-2-yl]-2-methylbenzimidazol-5-yl]-methoxy-oxoazanium
CID 123547631

Frequently Asked Questions

What is the IUPAC name of 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine?
The IUPAC name of 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine (CID 122580349) is 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine.
What is the SMILES notation for 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine?
The canonical SMILES for 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine is Cc1nc2cc(F)c(F)cc2n1-c1cc(N)c(F)c(Nc2ccc(CF)cc2)n1.
What is the InChIKey of 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine?
The InChIKey is FPNVVTATYQECIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N5/c1-10-26-16-6-13(22)14(23)7-17(16)29(10)18-8-15(25)19(24)20(28-18)27-12-4-2-11(9-21)3-5-12/h2-8H,9H2,1H3,(H3,25,27,28).
What are the key properties of 6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine?
6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine has a molecular weight of 401.37 g/mol, XLogP of 4.94, 4 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)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine is sourced from PubChem (CID 122580349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).