methyl 2-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate

C23H23N3O5 — CID 23773863

IUPACmethyl 2-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)OC(=O)c1ccc(-c2nc(C)c(C)[nH]2)cc1
InChIInChI=1S/C23H23N3O5/c1-13-14(2)25-20(24-13)16-9-11-17(12-10-16)22(28)31-15(3)21(27)26-19-8-6-5-7-18(19)23(29)30-4/h5-12,15H,1-4H3,(H,24,25)(H,26,27)
InChIKeyZDRYQLXZNUPHMJ-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.66
Rot. Bonds6

About methyl 2-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate

methyl 2-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate (PubChem CID 23773863) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is methyl 2-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate
PubChem CID23773863
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Namemethyl 2-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)OC(=O)c1ccc(-c2nc(C)c(C)[nH]2)cc1
InChIInChI=1S/C23H23N3O5/c1-13-14(2)25-20(24-13)16-9-11-17(12-10-16)22(28)31-15(3)21(27)26-19-8-6-5-7-18(19)23(29)30-4/h5-12,15H,1-4H3,(H,24,25)(H,26,27)
InChIKeyZDRYQLXZNUPHMJ-UHFFFAOYSA-N
XLogP3.66
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate with MolForge

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Related Compounds

[1-(3,5-dimethylanilino)-1-oxopropan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate
CID 23887967
[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate
CID 23943934
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate
CID 23860171
[1-(2-methoxyanilino)-1-oxobutan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate
CID 23888258
[1-(naphthalen-1-ylamino)-1-oxobutan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate
CID 23972252
[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate
CID 23744727
[1-(2-fluoroanilino)-1-oxobutan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate
CID 23972254
[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate
CID 23972061
methyl 2-(2-acetyloxypropanoylamino)benzoate
CID 23255845
methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate
CID 129389746
[1-(2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23999680
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972044

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate?
The IUPAC name of methyl 2-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate (CID 23773863) is methyl 2-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate.
What is the SMILES notation for methyl 2-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate?
The canonical SMILES for methyl 2-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate is COC(=O)c1ccccc1NC(=O)C(C)OC(=O)c1ccc(-c2nc(C)c(C)[nH]2)cc1.
What is the InChIKey of methyl 2-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate?
The InChIKey is ZDRYQLXZNUPHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-13-14(2)25-20(24-13)16-9-11-17(12-10-16)22(28)31-15(3)21(27)26-19-8-6-5-7-18(19)23(29)30-4/h5-12,15H,1-4H3,(H,24,25)(H,26,27).
What are the key properties of methyl 2-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate?
methyl 2-[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate has a molecular weight of 421.45 g/mol, XLogP of 3.66, 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-(4,5-dimethyl-1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoate is sourced from PubChem (CID 23773863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).