methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate

C20H19N3O4 — CID 47038275

IUPACmethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(OCc3nccn3C)cc2)cc1
InChIInChI=1S/C20H19N3O4/c1-23-12-11-21-18(23)13-27-17-9-5-14(6-10-17)19(24)22-16-7-3-15(4-8-16)20(25)26-2/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyYBSRDRCARDFLTB-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.04
Rot. Bonds6

About methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate

methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate (PubChem CID 47038275) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
PubChem CID47038275
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(OCc3nccn3C)cc2)cc1
InChIInChI=1S/C20H19N3O4/c1-23-12-11-21-18(23)13-27-17-9-5-14(6-10-17)19(24)22-16-7-3-15(4-8-16)20(25)26-2/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyYBSRDRCARDFLTB-UHFFFAOYSA-N
XLogP3.04
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate with MolForge

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Related Compounds

N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736611
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654
methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate
CID 55736473
3,5-dichloro-4-methoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 55766590
1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide
CID 56506638
N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736367
N-cyclohexyl-N-methyl-4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzamide
CID 55920263
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 56518850
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide
CID 55766270
2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 47045513
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate (CID 47038275) is methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(OCc3nccn3C)cc2)cc1.
What is the InChIKey of methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate?
The InChIKey is YBSRDRCARDFLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-23-12-11-21-18(23)13-27-17-9-5-14(6-10-17)19(24)22-16-7-3-15(4-8-16)20(25)26-2/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate?
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate has a molecular weight of 365.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate is sourced from PubChem (CID 47038275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).