5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde

C21H26N4O2S — CID 143512506

IUPAC5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde
SMILESCCc1ccc(CNC)c(C=O)c1.NCc1cc(C#CC2NCNC2=O)cs1
InChIInChI=1S/C11H15NO.C10H11N3OS/c1-3-9-4-5-10(7-12-2)11(6-9)8-13;11-4-8-3-7(5-15-8)1-2-9-10(14)13-6-12-9/h4-6,8,12H,3,7H2,1-2H3;3,5,9,12H,4,6,11H2,(H,13,14)
InChIKeyMJBYBOZQXCOIHJ-UHFFFAOYSA-N
MW398.53 g/mol
LogP1.38
Rot. Bonds5

About 5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde

5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde (PubChem CID 143512506) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde.

Molecular Properties

Compound Name5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde
PubChem CID143512506
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde
SMILESCCc1ccc(CNC)c(C=O)c1.NCc1cc(C#CC2NCNC2=O)cs1
InChIInChI=1S/C11H15NO.C10H11N3OS/c1-3-9-4-5-10(7-12-2)11(6-9)8-13;11-4-8-3-7(5-15-8)1-2-9-10(14)13-6-12-9/h4-6,8,12H,3,7H2,1-2H3;3,5,9,12H,4,6,11H2,(H,13,14)
InChIKeyMJBYBOZQXCOIHJ-UHFFFAOYSA-N
XLogP1.38
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde 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

5-ethyl-2-(methylaminomethyl)benzaldehyde
CID 143512508
ethane;5-ethyl-2-(methylaminomethyl)benzaldehyde;5-[5-[(E)-hydroxyiminomethyl]-1H-inden-2-yl]imidazolidine-2,4-dione
CID 143512769
5-methyl-2-(methylaminomethyl)benzaldehyde
CID 142196530
2-ethyl-5-(hydroxymethyl)benzaldehyde
CID 131311847
2-(methylaminomethyl)-5-[2-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]benzaldehyde
CID 144694128
2-chloro-4-ethylbenzaldehyde
CID 14687915
5-[[(4-fluorophenyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79545257
1-(5-ethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490825
1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482275
[3-(methylaminomethyl)-1H-indol-6-yl]methanamine
CID 117178238
7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one
CID 9256149
2-[(2,5-diethylphenyl)methylidene]propanedinitrile
CID 50887123

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde?
The IUPAC name of 5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde (CID 143512506) is 5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde.
What is the SMILES notation for 5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde?
The canonical SMILES for 5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde is CCc1ccc(CNC)c(C=O)c1.NCc1cc(C#CC2NCNC2=O)cs1.
What is the InChIKey of 5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde?
The InChIKey is MJBYBOZQXCOIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C10H11N3OS/c1-3-9-4-5-10(7-12-2)11(6-9)8-13;11-4-8-3-7(5-15-8)1-2-9-10(14)13-6-12-9/h4-6,8,12H,3,7H2,1-2H3;3,5,9,12H,4,6,11H2,(H,13,14).
What are the key properties of 5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde?
5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde has a molecular weight of 398.53 g/mol, XLogP of 1.38, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-(aminomethyl)thiophen-3-yl]ethynyl]imidazolidin-4-one;5-ethyl-2-(methylaminomethyl)benzaldehyde is sourced from PubChem (CID 143512506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).