4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine

C15H13ClF2N6O — CID 22036872

IUPAC4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)c1nc2ccccc2n1-c1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C15H13ClF2N6O/c16-13-20-14(23-5-7-25-8-6-23)22-15(21-13)24-10-4-2-1-3-9(10)19-12(24)11(17)18/h1-4,11H,5-8H2
InChIKeyAJQZNMCGFMDKGJ-UHFFFAOYSA-N
MW366.76 g/mol
LogP2.64
Rot. Bonds3

About 4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine

4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine (PubChem CID 22036872) has the molecular formula C15H13ClF2N6O and a molecular weight of 366.76 g/mol. Its IUPAC name is 4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
PubChem CID22036872
Molecular FormulaC15H13ClF2N6O
Molecular Weight366.76 g/mol
Exact Mass366.08
IUPAC Name4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)c1nc2ccccc2n1-c1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C15H13ClF2N6O/c16-13-20-14(23-5-7-25-8-6-23)22-15(21-13)24-10-4-2-1-3-9(10)19-12(24)11(17)18/h1-4,11H,5-8H2
InChIKeyAJQZNMCGFMDKGJ-UHFFFAOYSA-N
XLogP2.64
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.76
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-sulfinic acid
CID 118638783
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 54577773
1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-3-amine
CID 134147858
(2R,3S)-4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2,3-dimethylmorpholine
CID 42613855
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 11955443
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-pyridin-3-yloxy-1,3,5-triazin-2-yl]morpholine
CID 58102783
1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 71527009
(2S)-1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-(methylamino)propan-1-one
CID 71527008
1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 121354718
N-(6-chloro-2,3-dihydro-1H-inden-1-yl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 70675084
1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]ethenamine
CID 118892327
4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine
CID 123877201

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine (CID 22036872) is 4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine is FC(F)c1nc2ccccc2n1-c1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine?
The InChIKey is AJQZNMCGFMDKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N6O/c16-13-20-14(23-5-7-25-8-6-23)22-15(21-13)24-10-4-2-1-3-9(10)19-12(24)11(17)18/h1-4,11H,5-8H2.
What are the key properties of 4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine has a molecular weight of 366.76 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 22036872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).