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

C18H25N3O4 — CID 70252773

IUPAC2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-phenyl-1,4-dihydroimidazole-2,5-dicarboxylate
SMILESCOC(=O)C1(c2ccccc2)CN=C(C(=O)OC(C)(C)CC(C)N)N1
InChIInChI=1S/C18H25N3O4/c1-12(19)10-17(2,3)25-15(22)14-20-11-18(21-14,16(23)24-4)13-8-6-5-7-9-13/h5-9,12H,10-11,19H2,1-4H3,(H,20,21)
InChIKeyRIPFCTNMHZPFQE-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.12
Rot. Bonds6

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

2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-phenyl-1,4-dihydroimidazole-2,5-dicarboxylate (PubChem CID 70252773) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-phenyl-1,4-dihydroimidazole-2,5-dicarboxylate.

Molecular Properties

Compound Name2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-phenyl-1,4-dihydroimidazole-2,5-dicarboxylate
PubChem CID70252773
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-phenyl-1,4-dihydroimidazole-2,5-dicarboxylate
SMILESCOC(=O)C1(c2ccccc2)CN=C(C(=O)OC(C)(C)CC(C)N)N1
InChIInChI=1S/C18H25N3O4/c1-12(19)10-17(2,3)25-15(22)14-20-11-18(21-14,16(23)24-4)13-8-6-5-7-9-13/h5-9,12H,10-11,19H2,1-4H3,(H,20,21)
InChIKeyRIPFCTNMHZPFQE-UHFFFAOYSA-N
XLogP1.12
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.12
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-phenyl-1,4-dihydroimidazole-2,5-dicarboxylate?
The IUPAC name of 2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-phenyl-1,4-dihydroimidazole-2,5-dicarboxylate (CID 70252773) is 2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-phenyl-1,4-dihydroimidazole-2,5-dicarboxylate.
What is the SMILES notation for 2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-phenyl-1,4-dihydroimidazole-2,5-dicarboxylate?
The canonical SMILES for 2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-phenyl-1,4-dihydroimidazole-2,5-dicarboxylate is COC(=O)C1(c2ccccc2)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-phenyl-1,4-dihydroimidazole-2,5-dicarboxylate?
The InChIKey is RIPFCTNMHZPFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12(19)10-17(2,3)25-15(22)14-20-11-18(21-14,16(23)24-4)13-8-6-5-7-9-13/h5-9,12H,10-11,19H2,1-4H3,(H,20,21).
What are the key properties of 2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-phenyl-1,4-dihydroimidazole-2,5-dicarboxylate?
2-O-(4-amino-2-methylpentan-2-yl) 5-O-methyl 5-phenyl-1,4-dihydroimidazole-2,5-dicarboxylate has a molecular weight of 347.42 g/mol, XLogP of 1.12, 6 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-phenyl-1,4-dihydroimidazole-2,5-dicarboxylate is sourced from PubChem (CID 70252773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).