methyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate

C20H16N2O6 — CID 21401471

IUPACmethyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate
SMILESC=C1N(c2cccc(C(=O)OC)c2)C(=O)C(=O)N1c1cccc(C(=O)OC)c1
InChIInChI=1S/C20H16N2O6/c1-12-21(15-8-4-6-13(10-15)19(25)27-2)17(23)18(24)22(12)16-9-5-7-14(11-16)20(26)28-3/h4-11H,1H2,2-3H3
InChIKeyAOHWHQCBRMRDNS-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.11
Rot. Bonds4

About methyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate

methyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate (PubChem CID 21401471) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is methyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate
PubChem CID21401471
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC Namemethyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate
SMILESC=C1N(c2cccc(C(=O)OC)c2)C(=O)C(=O)N1c1cccc(C(=O)OC)c1
InChIInChI=1S/C20H16N2O6/c1-12-21(15-8-4-6-13(10-15)19(25)27-2)17(23)18(24)22(12)16-9-5-7-14(11-16)20(26)28-3/h4-11H,1H2,2-3H3
InChIKeyAOHWHQCBRMRDNS-UHFFFAOYSA-N
XLogP2.11
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]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 3-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzoate
CID 2859931
methyl 3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzoate
CID 1217339
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]oxymethyl]benzoate
CID 42980004
methyl 3-[(1R,2S,6S,7R,8S,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzoate
CID 124772175
azane;dimethyl benzene-1,3-dicarboxylate;hydron
CID 175196363
methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate
CID 172993340
methyl 3-(10-benzhydrylidene-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate
CID 3856530
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
methyl 1,3-dioxo-2-phenylisoindole-5-carboxylate
CID 823415
dimethyl 5-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 55345893

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate?
The IUPAC name of methyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate (CID 21401471) is methyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate.
What is the SMILES notation for methyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate?
The canonical SMILES for methyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate is C=C1N(c2cccc(C(=O)OC)c2)C(=O)C(=O)N1c1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate?
The InChIKey is AOHWHQCBRMRDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6/c1-12-21(15-8-4-6-13(10-15)19(25)27-2)17(23)18(24)22(12)16-9-5-7-14(11-16)20(26)28-3/h4-11H,1H2,2-3H3.
What are the key properties of methyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate?
methyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate has a molecular weight of 380.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(3-methoxycarbonylphenyl)-2-methylidene-4,5-dioxoimidazolidin-1-yl]benzoate is sourced from PubChem (CID 21401471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).