benzyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate

C23H22N4O6 — CID 24789279

IUPACbenzyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
SMILESO=C(CNC(=O)c1nc[nH]c1C(=O)NCC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H22N4O6/c28-18(32-13-16-7-3-1-4-8-16)11-24-22(30)20-21(27-15-26-20)23(31)25-12-19(29)33-14-17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,24,30)(H,25,31)(H,26,27)
InChIKeyOKABVISBEFELJY-UHFFFAOYSA-N
MW450.45 g/mol
LogP1.36
Rot. Bonds10

About benzyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate

benzyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate (PubChem CID 24789279) has the molecular formula C23H22N4O6 and a molecular weight of 450.45 g/mol. Its IUPAC name is benzyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
PubChem CID24789279
Molecular FormulaC23H22N4O6
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Namebenzyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
SMILESO=C(CNC(=O)c1nc[nH]c1C(=O)NCC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H22N4O6/c28-18(32-13-16-7-3-1-4-8-16)11-24-22(30)20-21(27-15-26-20)23(31)25-12-19(29)33-14-17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,24,30)(H,25,31)(H,26,27)
InChIKeyOKABVISBEFELJY-UHFFFAOYSA-N
XLogP1.36
TPSA139.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate?
The IUPAC name of benzyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate (CID 24789279) is benzyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate?
The canonical SMILES for benzyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate is O=C(CNC(=O)c1nc[nH]c1C(=O)NCC(=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate?
The InChIKey is OKABVISBEFELJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O6/c28-18(32-13-16-7-3-1-4-8-16)11-24-22(30)20-21(27-15-26-20)23(31)25-12-19(29)33-14-17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,24,30)(H,25,31)(H,26,27).
What are the key properties of benzyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate?
benzyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate has a molecular weight of 450.45 g/mol, XLogP of 1.36, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate is sourced from PubChem (CID 24789279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).