1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde

C10H15N3O2 — CID 79182107

IUPAC1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde
SMILESCN1CCOC(Cn2ccnc2C=O)C1
InChIInChI=1S/C10H15N3O2/c1-12-4-5-15-9(6-12)7-13-3-2-11-10(13)8-14/h2-3,8-9H,4-7H2,1H3
InChIKeyVXXKLBXRXJREEJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.03
Rot. Bonds3

About 1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde

1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde (PubChem CID 79182107) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde
PubChem CID79182107
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde
SMILESCN1CCOC(Cn2ccnc2C=O)C1
InChIInChI=1S/C10H15N3O2/c1-12-4-5-15-9(6-12)7-13-3-2-11-10(13)8-14/h2-3,8-9H,4-7H2,1H3
InChIKeyVXXKLBXRXJREEJ-UHFFFAOYSA-N
XLogP0.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde 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-methyl-2-[[2-(2-methylphenyl)imidazol-1-yl]methyl]morpholine
CID 154821341
1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 79182622
2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine
CID 116620895
1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
CID 116622203
1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
CID 95159135
(2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine
CID 98768790
3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 79072318
2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine
CID 146040864
(4-methylmorpholin-2-yl)-(1-propylimidazol-2-yl)methanol
CID 79087761
[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine
CID 79078229
2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine
CID 154565707
formic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine
CID 166598207

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde?
The IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde (CID 79182107) is 1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde.
What is the SMILES notation for 1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde?
The canonical SMILES for 1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde is CN1CCOC(Cn2ccnc2C=O)C1.
What is the InChIKey of 1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde?
The InChIKey is VXXKLBXRXJREEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-4-5-15-9(6-12)7-13-3-2-11-10(13)8-14/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde?
1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde has a molecular weight of 209.25 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde is sourced from PubChem (CID 79182107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).