methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate

C14H15N3O3 — CID 103859709

IUPACmethyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)c1cn(C)cn1
InChIInChI=1S/C14H15N3O3/c1-9-4-5-11(10(6-9)14(19)20-3)16-13(18)12-7-17(2)8-15-12/h4-8H,1-3H3,(H,16,18)
InChIKeyNEFMDAFCSVRVRI-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.77
Rot. Bonds3

About methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate

methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate (PubChem CID 103859709) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate
PubChem CID103859709
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)c1cn(C)cn1
InChIInChI=1S/C14H15N3O3/c1-9-4-5-11(10(6-9)14(19)20-3)16-13(18)12-7-17(2)8-15-12/h4-8H,1-3H3,(H,16,18)
InChIKeyNEFMDAFCSVRVRI-UHFFFAOYSA-N
XLogP1.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)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

methyl 2-[(1-methylimidazole-4-carbonyl)amino]benzoate
CID 103858088
methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate
CID 106685894
methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate
CID 114822092
methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate
CID 79479514
methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate
CID 122136744
methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate
CID 66484487
methyl 2-[(5-hydroxypyridine-3-carbonyl)amino]-5-methylbenzoate
CID 63849862
methyl 2-[(1-methoxyisoquinoline-3-carbonyl)amino]-5-methylbenzoate
CID 71936390
methyl 4-methyl-3-[(1-methylimidazole-4-carbonyl)amino]thiophene-2-carboxylate
CID 114022860
methyl 5-methyl-2-(prop-2-enoylamino)benzoate
CID 43623759
N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 103860189
methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate
CID 79151802

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate (CID 103859709) is methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate is COC(=O)c1cc(C)ccc1NC(=O)c1cn(C)cn1.
What is the InChIKey of methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate?
The InChIKey is NEFMDAFCSVRVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-4-5-11(10(6-9)14(19)20-3)16-13(18)12-7-17(2)8-15-12/h4-8H,1-3H3,(H,16,18).
What are the key properties of methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate?
methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate has a molecular weight of 273.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 103859709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).