4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine

C22H20F2N6O2 — CID 66856149

IUPAC4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine
SMILESCOc1cccc2c1nc(C(F)F)n2-c1cc(-c2cccnc2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H20F2N6O2/c1-31-17-6-2-5-16-19(17)28-21(20(23)24)30(16)18-12-15(14-4-3-7-25-13-14)26-22(27-18)29-8-10-32-11-9-29/h2-7,12-13,20H,8-11H2,1H3
InChIKeyMRDSMIMWJMLEEE-UHFFFAOYSA-N
MW438.44 g/mol
LogP3.66
Rot. Bonds5

About 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine

4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine (PubChem CID 66856149) has the molecular formula C22H20F2N6O2 and a molecular weight of 438.44 g/mol. Its IUPAC name is 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine
PubChem CID66856149
Molecular FormulaC22H20F2N6O2
Molecular Weight438.44 g/mol
Exact Mass438.16
IUPAC Name4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine
SMILESCOc1cccc2c1nc(C(F)F)n2-c1cc(-c2cccnc2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H20F2N6O2/c1-31-17-6-2-5-16-19(17)28-21(20(23)24)30(16)18-12-15(14-4-3-7-25-13-14)26-22(27-18)29-8-10-32-11-9-29/h2-7,12-13,20H,8-11H2,1H3
InChIKeyMRDSMIMWJMLEEE-UHFFFAOYSA-N
XLogP3.66
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 46917286
4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]piperazine-1-carboxylic acid
CID 66839775
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-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-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-N-(6-methoxypyrazin-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66853813
4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine
CID 57449573
4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-2,2-dimethylmorpholine
CID 68692944
4-(4-ethyl-6-pyridin-3-ylpyrimidin-2-yl)morpholine
CID 39804563
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
N-[(2S)-2-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrrolidin-1-yl]methanesulfonamide
CID 140554395
4-[[6-[2-(difluoromethyl)-4-ethoxybenzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxymethyl]cyclohexan-1-amine
CID 162544094

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine (CID 66856149) is 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine is COc1cccc2c1nc(C(F)F)n2-c1cc(-c2cccnc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine?
The InChIKey is MRDSMIMWJMLEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O2/c1-31-17-6-2-5-16-19(17)28-21(20(23)24)30(16)18-12-15(14-4-3-7-25-13-14)26-22(27-18)29-8-10-32-11-9-29/h2-7,12-13,20H,8-11H2,1H3.
What are the key properties of 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine?
4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine has a molecular weight of 438.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-pyridin-3-ylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 66856149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).