2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol

C20H22F2N6O3 — CID 57390300

IUPAC2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol
SMILESOc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H22F2N6O3/c21-18(22)19-25-17-13(2-1-3-14(17)29)28(19)20-23-15(26-4-8-30-9-5-26)12-16(24-20)27-6-10-31-11-7-27/h1-3,12,18,29H,4-11H2
InChIKeyAVINCSKSPOENJS-UHFFFAOYSA-N
MW432.43 g/mol
LogP2.13
Rot. Bonds4

About 2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol

2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol (PubChem CID 57390300) has the molecular formula C20H22F2N6O3 and a molecular weight of 432.43 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol
PubChem CID57390300
Molecular FormulaC20H22F2N6O3
Molecular Weight432.43 g/mol
Exact Mass432.17
IUPAC Name2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol
SMILESOc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H22F2N6O3/c21-18(22)19-25-17-13(2-1-3-14(17)29)28(19)20-23-15(26-4-8-30-9-5-26)12-16(24-20)27-6-10-31-11-7-27/h1-3,12,18,29H,4-11H2
InChIKeyAVINCSKSPOENJS-UHFFFAOYSA-N
XLogP2.13
TPSA88.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol?
The IUPAC name of 2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol (CID 57390300) is 2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol.
What is the SMILES notation for 2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol?
The canonical SMILES for 2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol is Oc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCOCC2)n1.
What is the InChIKey of 2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol?
The InChIKey is AVINCSKSPOENJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O3/c21-18(22)19-25-17-13(2-1-3-14(17)29)28(19)20-23-15(26-4-8-30-9-5-26)12-16(24-20)27-6-10-31-11-7-27/h1-3,12,18,29H,4-11H2.
What are the key properties of 2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol?
2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol has a molecular weight of 432.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-ol is sourced from PubChem (CID 57390300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).