4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine

C22H22F2N8O — CID 66870265

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCN(Cc1ccccn1)c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C22H22F2N8O/c1-30(14-15-6-4-5-9-25-15)20-27-21(31-10-12-33-13-11-31)29-22(28-20)32-17-8-3-2-7-16(17)26-19(32)18(23)24/h2-9,18H,10-14H2,1H3
InChIKeyTVTQGTZJJNGLQJ-UHFFFAOYSA-N
MW452.47 g/mol
LogP3.02
Rot. Bonds6

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

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 66870265) has the molecular formula C22H22F2N8O and a molecular weight of 452.47 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID66870265
Molecular FormulaC22H22F2N8O
Molecular Weight452.47 g/mol
Exact Mass452.19
IUPAC Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCN(Cc1ccccn1)c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C22H22F2N8O/c1-30(14-15-6-4-5-9-25-15)20-27-21(31-10-12-33-13-11-31)29-22(28-20)32-17-8-3-2-7-16(17)26-19(32)18(23)24/h2-9,18H,10-14H2,1H3
InChIKeyTVTQGTZJJNGLQJ-UHFFFAOYSA-N
XLogP3.02
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine (CID 66870265) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine is CN(Cc1ccccn1)c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.
What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is TVTQGTZJJNGLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N8O/c1-30(14-15-6-4-5-9-25-15)20-27-21(31-10-12-33-13-11-31)29-22(28-20)32-17-8-3-2-7-16(17)26-19(32)18(23)24/h2-9,18H,10-14H2,1H3.
What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 452.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-methyl-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 66870265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).