2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-ol

C19H21F2N7O3 — CID 22036885

IUPAC2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-ol
SMILESOc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H21F2N7O3/c20-15(21)16-22-14-12(2-1-3-13(14)29)28(16)19-24-17(26-4-8-30-9-5-26)23-18(25-19)27-6-10-31-11-7-27/h1-3,15,29H,4-11H2
InChIKeyWFRUFWRKGZIARP-UHFFFAOYSA-N
MW433.42 g/mol
LogP1.53
Rot. Bonds4

About 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-ol

2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-ol (PubChem CID 22036885) has the molecular formula C19H21F2N7O3 and a molecular weight of 433.42 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-ol
PubChem CID22036885
Molecular FormulaC19H21F2N7O3
Molecular Weight433.42 g/mol
Exact Mass433.17
IUPAC Name2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-ol
SMILESOc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H21F2N7O3/c20-15(21)16-22-14-12(2-1-3-13(14)29)28(16)19-24-17(26-4-8-30-9-5-26)23-18(25-19)27-6-10-31-11-7-27/h1-3,15,29H,4-11H2
InChIKeyWFRUFWRKGZIARP-UHFFFAOYSA-N
XLogP1.53
TPSA101.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(Difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol
CID 57390300
2-Phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-1-{3-[1-(3-piperidin-1-yl-propyl)-piperidin-4-yl]-propyl}-1H-benzoimidazole
CID 44372750
1-[3-(1-But-3-enyl-piperidin-4-yl)-propyl]-2-phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
CID 44373122
PI3K-IN-54
CID 56589559
2-(difluoromethyl)-3-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-7-methoxy-N-methylbenzimidazol-5-amine
CID 56593677
2-(Difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-5-methoxybenzimidazol-4-ol
CID 56595686
2-(2,6-Difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol
CID 22482479
N-[1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-4-yl]-2-(dimethylamino)-N-methylethanesulfonamide
CID 46917354
2-(difluoromethyl)-4-methoxy-1-[4-[4-(methylsulfonyl)-1-piperazinyl]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-1H-benzimidazole
CID 46917424
N-[[1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]methanesulfonamide
CID 46917427
N-[[1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 46917428
4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 46917429

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-ol?
The IUPAC name of 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-ol (CID 22036885) is 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-ol.
What is the SMILES notation for 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-ol?
The canonical SMILES for 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-ol is Oc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-ol?
The InChIKey is WFRUFWRKGZIARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N7O3/c20-15(21)16-22-14-12(2-1-3-13(14)29)28(16)19-24-17(26-4-8-30-9-5-26)23-18(25-19)27-6-10-31-11-7-27/h1-3,15,29H,4-11H2.
What are the key properties of 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-ol?
2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-ol has a molecular weight of 433.42 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-ol is sourced from PubChem (CID 22036885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).