methyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate

C12H11N3O4 — CID 43406982

IUPACmethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C12H11N3O4/c1-19-11(17)7-2-4-8(5-3-7)14-10(16)9-6-13-12(18)15-9/h2-6H,1H3,(H,14,16)(H2,13,15,18)
InChIKeyBMOKZDPMVFMWIE-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.74
Rot. Bonds3

About methyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate

methyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate (PubChem CID 43406982) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is methyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate
PubChem CID43406982
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Namemethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C12H11N3O4/c1-19-11(17)7-2-4-8(5-3-7)14-10(16)9-6-13-12(18)15-9/h2-6H,1H3,(H,14,16)(H2,13,15,18)
InChIKeyBMOKZDPMVFMWIE-UHFFFAOYSA-N
XLogP0.74
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(2-oxo-1,3-dihydroimidazole-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 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
CID 9396061
methyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]benzoate
CID 46390718
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217
methyl 4-[(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)amino]benzoate
CID 136849882
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 967516
methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
CID 134062049
methyl 4-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)carbamoyl]benzoate
CID 56764988

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate (CID 43406982) is methyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2c[nH]c(=O)[nH]2)cc1.
What is the InChIKey of methyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate?
The InChIKey is BMOKZDPMVFMWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-19-11(17)7-2-4-8(5-3-7)14-10(16)9-6-13-12(18)15-9/h2-6H,1H3,(H,14,16)(H2,13,15,18).
What are the key properties of methyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate?
methyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate has a molecular weight of 261.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 43406982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).