1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[1-(difluoromethyl)pyrazol-3-yl]benzimidazol-2-amine

C15H13F2N9 — CID 54584859

IUPAC1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[1-(difluoromethyl)pyrazol-3-yl]benzimidazol-2-amine
SMILESCc1nc(N)nc(-n2c(Nc3ccn(C(F)F)n3)nc3ccccc32)n1
InChIInChI=1S/C15H13F2N9/c1-8-19-13(18)23-14(20-8)26-10-5-3-2-4-9(10)21-15(26)22-11-6-7-25(24-11)12(16)17/h2-7,12H,1H3,(H,21,22,24)(H2,18,19,20,23)
InChIKeyBWVQDRRLGFHKGN-UHFFFAOYSA-N
MW357.33 g/mol
LogP2.44
Rot. Bonds4

About 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[1-(difluoromethyl)pyrazol-3-yl]benzimidazol-2-amine

1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[1-(difluoromethyl)pyrazol-3-yl]benzimidazol-2-amine (PubChem CID 54584859) has the molecular formula C15H13F2N9 and a molecular weight of 357.33 g/mol. Its IUPAC name is 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[1-(difluoromethyl)pyrazol-3-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[1-(difluoromethyl)pyrazol-3-yl]benzimidazol-2-amine
PubChem CID54584859
Molecular FormulaC15H13F2N9
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Name1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[1-(difluoromethyl)pyrazol-3-yl]benzimidazol-2-amine
SMILESCc1nc(N)nc(-n2c(Nc3ccn(C(F)F)n3)nc3ccccc32)n1
InChIInChI=1S/C15H13F2N9/c1-8-19-13(18)23-14(20-8)26-10-5-3-2-4-9(10)21-15(26)22-11-6-7-25(24-11)12(16)17/h2-7,12H,1H3,(H,21,22,24)(H2,18,19,20,23)
InChIKeyBWVQDRRLGFHKGN-UHFFFAOYSA-N
XLogP2.44
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[1-(difluoromethyl)pyrazol-3-yl]benzimidazol-2-amine?
The IUPAC name of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[1-(difluoromethyl)pyrazol-3-yl]benzimidazol-2-amine (CID 54584859) is 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[1-(difluoromethyl)pyrazol-3-yl]benzimidazol-2-amine.
What is the SMILES notation for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[1-(difluoromethyl)pyrazol-3-yl]benzimidazol-2-amine?
The canonical SMILES for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[1-(difluoromethyl)pyrazol-3-yl]benzimidazol-2-amine is Cc1nc(N)nc(-n2c(Nc3ccn(C(F)F)n3)nc3ccccc32)n1.
What is the InChIKey of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[1-(difluoromethyl)pyrazol-3-yl]benzimidazol-2-amine?
The InChIKey is BWVQDRRLGFHKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N9/c1-8-19-13(18)23-14(20-8)26-10-5-3-2-4-9(10)21-15(26)22-11-6-7-25(24-11)12(16)17/h2-7,12H,1H3,(H,21,22,24)(H2,18,19,20,23).
What are the key properties of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[1-(difluoromethyl)pyrazol-3-yl]benzimidazol-2-amine?
1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[1-(difluoromethyl)pyrazol-3-yl]benzimidazol-2-amine has a molecular weight of 357.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[1-(difluoromethyl)pyrazol-3-yl]benzimidazol-2-amine is sourced from PubChem (CID 54584859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).