methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate

C27H24N4O5 — CID 42431459

IUPACmethyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc(-n3ccnc3)cc2)cc(NC(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C27H24N4O5/c1-35-24-5-3-4-20(15-24)26(33)30-22-13-18(12-21(14-22)27(34)36-2)16-29-25(32)19-6-8-23(9-7-19)31-11-10-28-17-31/h3-15,17H,16H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyUBVJKOFYDGKURT-UHFFFAOYSA-N
MW484.51 g/mol
LogP3.85
Rot. Bonds8

About methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate

methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate (PubChem CID 42431459) has the molecular formula C27H24N4O5 and a molecular weight of 484.51 g/mol. Its IUPAC name is methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate
PubChem CID42431459
Molecular FormulaC27H24N4O5
Molecular Weight484.51 g/mol
Exact Mass484.17
IUPAC Namemethyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc(-n3ccnc3)cc2)cc(NC(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C27H24N4O5/c1-35-24-5-3-4-20(15-24)26(33)30-22-13-18(12-21(14-22)27(34)36-2)16-29-25(32)19-6-8-23(9-7-19)31-11-10-28-17-31/h3-15,17H,16H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyUBVJKOFYDGKURT-UHFFFAOYSA-N
XLogP3.85
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
methyl 3-[[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate
CID 42275276
methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate
CID 118759148
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 28574947
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
methyl 3-[[4-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28640040
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-3-methoxybenzamide
CID 121073870
[3-[[4-[[(4-methoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928173
methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate
CID 42406364

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate (CID 42431459) is methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate is COC(=O)c1cc(CNC(=O)c2ccc(-n3ccnc3)cc2)cc(NC(=O)c2cccc(OC)c2)c1.
What is the InChIKey of methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate?
The InChIKey is UBVJKOFYDGKURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O5/c1-35-24-5-3-4-20(15-24)26(33)30-22-13-18(12-21(14-22)27(34)36-2)16-29-25(32)19-6-8-23(9-7-19)31-11-10-28-17-31/h3-15,17H,16H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate?
methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate has a molecular weight of 484.51 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 42431459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).