1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium

C16H14ClF2N5O2Y — CID 59595943

IUPAC1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium
SMILESOc1cccc2c1nc(C(F)F)n2-c1nc(Cl)cc(N2CCOCC2)n1.[Y]
InChIInChI=1S/C16H14ClF2N5O2.Y/c17-11-8-12(23-4-6-26-7-5-23)21-16(20-11)24-9-2-1-3-10(25)13(9)22-15(24)14(18)19;/h1-3,8,14,25H,4-7H2;
InChIKeyWJFAGRORGWDUHI-UHFFFAOYSA-N
MW470.68 g/mol
LogP2.95
Rot. Bonds3

About 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium

1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium (PubChem CID 59595943) has the molecular formula C16H14ClF2N5O2Y and a molecular weight of 470.68 g/mol. Its IUPAC name is 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium.

Molecular Properties

Compound Name1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium
PubChem CID59595943
Molecular FormulaC16H14ClF2N5O2Y
Molecular Weight470.68 g/mol
Exact Mass469.99
IUPAC Name1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium
SMILESOc1cccc2c1nc(C(F)F)n2-c1nc(Cl)cc(N2CCOCC2)n1.[Y]
InChIInChI=1S/C16H14ClF2N5O2.Y/c17-11-8-12(23-4-6-26-7-5-23)21-16(20-11)24-9-2-1-3-10(25)13(9)22-15(24)14(18)19;/h1-3,8,14,25H,4-7H2;
InChIKeyWJFAGRORGWDUHI-UHFFFAOYSA-N
XLogP2.95
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.68
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[2-(difluoromethyl)-4-hydroxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylic acid
CID 66839544
[2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-yl]oxy-tri(propan-2-yl)silane
CID 56593829
2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methoxybenzimidazol-5-ol
CID 56593675
4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2,3-dimethylmorpholine
CID 57449573
2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine
CID 22036899
4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872
[2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid
CID 67547350
4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]piperazine-1-carboxylic acid
CID 66839775
2-[2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]oxyethanol
CID 67546089
(1-aminocyclobutyl)-[4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 24849723
4-[2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]-2,2-dimethylmorpholine
CID 68692944
2-[1-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperidin-4-yl]ethanamine
CID 24766041

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium?
The IUPAC name of 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium (CID 59595943) is 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium.
What is the SMILES notation for 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium?
The canonical SMILES for 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium is Oc1cccc2c1nc(C(F)F)n2-c1nc(Cl)cc(N2CCOCC2)n1.[Y].
What is the InChIKey of 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium?
The InChIKey is WJFAGRORGWDUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N5O2.Y/c17-11-8-12(23-4-6-26-7-5-23)21-16(20-11)24-9-2-1-3-10(25)13(9)22-15(24)14(18)19;/h1-3,8,14,25H,4-7H2;.
What are the key properties of 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium?
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium has a molecular weight of 470.68 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium is sourced from PubChem (CID 59595943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).