2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-benzyl-1,4-dihydroimidazole-2,5-dicarboxylate

C19H27N3O4 — CID 70255065

IUPAC2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-benzyl-1,4-dihydroimidazole-2,5-dicarboxylate
SMILESCOC(=O)C1(Cc2ccccc2)CN=C(C(=O)OC(C)(C)CC(C)N)N1
InChIInChI=1S/C19H27N3O4/c1-13(20)10-18(2,3)26-16(23)15-21-12-19(22-15,17(24)25-4)11-14-8-6-5-7-9-14/h5-9,13H,10-12,20H2,1-4H3,(H,21,22)
InChIKeyJSQUDZZDRYTYNY-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.20
Rot. Bonds7

About 2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-benzyl-1,4-dihydroimidazole-2,5-dicarboxylate

2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-benzyl-1,4-dihydroimidazole-2,5-dicarboxylate (PubChem CID 70255065) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-benzyl-1,4-dihydroimidazole-2,5-dicarboxylate.

Molecular Properties

Compound Name2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-benzyl-1,4-dihydroimidazole-2,5-dicarboxylate
PubChem CID70255065
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-benzyl-1,4-dihydroimidazole-2,5-dicarboxylate
SMILESCOC(=O)C1(Cc2ccccc2)CN=C(C(=O)OC(C)(C)CC(C)N)N1
InChIInChI=1S/C19H27N3O4/c1-13(20)10-18(2,3)26-16(23)15-21-12-19(22-15,17(24)25-4)11-14-8-6-5-7-9-14/h5-9,13H,10-12,20H2,1-4H3,(H,21,22)
InChIKeyJSQUDZZDRYTYNY-UHFFFAOYSA-N
XLogP1.20
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-benzyl-1,4-dihydroimidazole-2,5-dicarboxylate?
The IUPAC name of 2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-benzyl-1,4-dihydroimidazole-2,5-dicarboxylate (CID 70255065) is 2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-benzyl-1,4-dihydroimidazole-2,5-dicarboxylate.
What is the SMILES notation for 2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-benzyl-1,4-dihydroimidazole-2,5-dicarboxylate?
The canonical SMILES for 2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-benzyl-1,4-dihydroimidazole-2,5-dicarboxylate is COC(=O)C1(Cc2ccccc2)CN=C(C(=O)OC(C)(C)CC(C)N)N1.
What is the InChIKey of 2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-benzyl-1,4-dihydroimidazole-2,5-dicarboxylate?
The InChIKey is JSQUDZZDRYTYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13(20)10-18(2,3)26-16(23)15-21-12-19(22-15,17(24)25-4)11-14-8-6-5-7-9-14/h5-9,13H,10-12,20H2,1-4H3,(H,21,22).
What are the key properties of 2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-benzyl-1,4-dihydroimidazole-2,5-dicarboxylate?
2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-benzyl-1,4-dihydroimidazole-2,5-dicarboxylate has a molecular weight of 361.44 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-benzyl-1,4-dihydroimidazole-2,5-dicarboxylate is sourced from PubChem (CID 70255065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).