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5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one

C20H22Cl2N6O4 — CID 153011449

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(Cn2c(=O)n(C)c3ccc(Nc4nc(Cl)ncc4Cl)cc32)(C(C)(C)O)OC1=O
InChIInChI=1S/C20H22Cl2N6O4/c1-19(2,31)20(9-26(3)18(30)32-20)10-28-14-7-11(5-6-13(14)27(4)17(28)29)24-15-12(21)8-23-16(22)25-15/h5-8,31H,9-10H2,1-4H3,(H,23,24,25)
InChIKeyVADHDMPZZBZZCS-UHFFFAOYSA-N
MW481.34 g/mol
LogP2.77
Rot. Bonds5

About 5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one

5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 153011449) has the molecular formula C20H22Cl2N6O4 and a molecular weight of 481.34 g/mol. Its IUPAC name is 5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one
PubChem CID153011449
Molecular FormulaC20H22Cl2N6O4
Molecular Weight481.34 g/mol
Exact Mass480.11
IUPAC Name5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(Cn2c(=O)n(C)c3ccc(Nc4nc(Cl)ncc4Cl)cc32)(C(C)(C)O)OC1=O
InChIInChI=1S/C20H22Cl2N6O4/c1-19(2,31)20(9-26(3)18(30)32-20)10-28-14-7-11(5-6-13(14)27(4)17(28)29)24-15-12(21)8-23-16(22)25-15/h5-8,31H,9-10H2,1-4H3,(H,23,24,25)
InChIKeyVADHDMPZZBZZCS-UHFFFAOYSA-N
XLogP2.77
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one (CID 153011449) is 5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one is CN1CC(Cn2c(=O)n(C)c3ccc(Nc4nc(Cl)ncc4Cl)cc32)(C(C)(C)O)OC1=O.
What is the InChIKey of 5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is VADHDMPZZBZZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N6O4/c1-19(2,31)20(9-26(3)18(30)32-20)10-28-14-7-11(5-6-13(14)27(4)17(28)29)24-15-12(21)8-23-16(22)25-15/h5-8,31H,9-10H2,1-4H3,(H,23,24,25).
What are the key properties of 5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one?
5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 481.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[(2,5-dichloropyrimidin-4-yl)amino]-3-methyl-2-oxobenzimidazol-1-yl]methyl]-5-(2-hydroxypropan-2-yl)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 153011449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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