3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide

C19H22F2N8O2 — CID 139340238

IUPAC3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C19H22F2N8O2/c1-22-14(30)6-7-23-17-25-18(28-8-10-31-11-9-28)27-19(26-17)29-13-5-3-2-4-12(13)24-16(29)15(20)21/h2-5,15H,6-11H2,1H3,(H,22,30)(H,23,25,26,27)
InChIKeyVPXUFRGMPIQLIV-UHFFFAOYSA-N
MW432.44 g/mol
LogP1.53
Rot. Bonds7

About 3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide

3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide (PubChem CID 139340238) has the molecular formula C19H22F2N8O2 and a molecular weight of 432.44 g/mol. Its IUPAC name is 3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
PubChem CID139340238
Molecular FormulaC19H22F2N8O2
Molecular Weight432.44 g/mol
Exact Mass432.18
IUPAC Name3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C19H22F2N8O2/c1-22-14(30)6-7-23-17-25-18(28-8-10-31-11-9-28)27-19(26-17)29-13-5-3-2-4-12(13)24-16(29)15(20)21/h2-5,15H,6-11H2,1H3,(H,22,30)(H,23,25,26,27)
InChIKeyVPXUFRGMPIQLIV-UHFFFAOYSA-N
XLogP1.53
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
The IUPAC name of 3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide (CID 139340238) is 3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
The canonical SMILES for 3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide is CNC(=O)CCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.
What is the InChIKey of 3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
The InChIKey is VPXUFRGMPIQLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N8O2/c1-22-14(30)6-7-23-17-25-18(28-8-10-31-11-9-28)27-19(26-17)29-13-5-3-2-4-12(13)24-16(29)15(20)21/h2-5,15H,6-11H2,1H3,(H,22,30)(H,23,25,26,27).
What are the key properties of 3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide has a molecular weight of 432.44 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 139340238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).