4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine

C23H28F2N6O3 — CID 57449573

IUPAC4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine
SMILESCOc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCOC(C)C2C)n1
InChIInChI=1S/C23H28F2N6O3/c1-14-15(2)34-12-9-30(14)19-13-18(29-7-10-33-11-8-29)26-23(27-19)31-16-5-4-6-17(32-3)20(16)28-22(31)21(24)25/h4-6,13-15,21H,7-12H2,1-3H3
InChIKeyPJHMKDHFFNQTEA-UHFFFAOYSA-N
MW474.51 g/mol
LogP3.21
Rot. Bonds5

About 4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine

4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine (PubChem CID 57449573) has the molecular formula C23H28F2N6O3 and a molecular weight of 474.51 g/mol. Its IUPAC name is 4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine
PubChem CID57449573
Molecular FormulaC23H28F2N6O3
Molecular Weight474.51 g/mol
Exact Mass474.22
IUPAC Name4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine
SMILESCOc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCOC(C)C2C)n1
InChIInChI=1S/C23H28F2N6O3/c1-14-15(2)34-12-9-30(14)19-13-18(29-7-10-33-11-8-29)26-23(27-19)31-16-5-4-6-17(32-3)20(16)28-22(31)21(24)25/h4-6,13-15,21H,7-12H2,1-3H3
InChIKeyPJHMKDHFFNQTEA-UHFFFAOYSA-N
XLogP3.21
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-yl]oxy-tri(propan-2-yl)silane
CID 56593829
4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-2,2-dimethylmorpholine
CID 68692944
4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine
CID 67527929
4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]piperazine-1-carboxylic acid
CID 66839775
(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)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline
CID 53488104
N-chloro-N-[1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-4-yl]methanesulfonamide
CID 87113969
4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine
CID 66856149
4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-(piperidin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 66698095
2-chloro-N-[1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide
CID 90763950
tert-butyl N-[1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamate
CID 66698068
(3S)-4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-methylmorpholine
CID 90226403

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine?
The IUPAC name of 4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine (CID 57449573) is 4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine.
What is the SMILES notation for 4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine?
The canonical SMILES for 4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine is COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCOC(C)C2C)n1.
What is the InChIKey of 4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine?
The InChIKey is PJHMKDHFFNQTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N6O3/c1-14-15(2)34-12-9-30(14)19-13-18(29-7-10-33-11-8-29)26-23(27-19)31-16-5-4-6-17(32-3)20(16)28-22(31)21(24)25/h4-6,13-15,21H,7-12H2,1-3H3.
What are the key properties of 4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine?
4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine has a molecular weight of 474.51 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine is sourced from PubChem (CID 57449573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).