methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate

C20H17N3O5 — CID 23943561

IUPACmethyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C20H17N3O5/c1-27-20(26)15-4-2-3-5-16(15)23-17(24)12-28-19(25)14-8-6-13(7-9-14)18-21-10-11-22-18/h2-11H,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyCXPDZAUCKCJFCN-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.66
Rot. Bonds6

About methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate

methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate (PubChem CID 23943561) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate
PubChem CID23943561
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Namemethyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C20H17N3O5/c1-27-20(26)15-4-2-3-5-16(15)23-17(24)12-28-19(25)14-8-6-13(7-9-14)18-21-10-11-22-18/h2-11H,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyCXPDZAUCKCJFCN-UHFFFAOYSA-N
XLogP2.66
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate with MolForge

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23999278
[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23744377
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23831428
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 9452060
methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211925
methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate
CID 2668483
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786670
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563639
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23915920
[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 4-(1H-imidazol-2-yl)benzoate
CID 25039785

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate (CID 23943561) is methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate?
The InChIKey is CXPDZAUCKCJFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-27-20(26)15-4-2-3-5-16(15)23-17(24)12-28-19(25)14-8-6-13(7-9-14)18-21-10-11-22-18/h2-11H,12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate?
methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate has a molecular weight of 379.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 23943561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).