1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde

C11H12N2O2 — CID 174908697

IUPAC1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde
SMILESCOc1cccc(N2CCN=C2C=O)c1
InChIInChI=1S/C11H12N2O2/c1-15-10-4-2-3-9(7-10)13-6-5-12-11(13)8-14/h2-4,7-8H,5-6H2,1H3
InChIKeyROSJHXRAXSYBJA-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.11
Rot. Bonds3

About 1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde

1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde (PubChem CID 174908697) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde
PubChem CID174908697
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde
SMILESCOc1cccc(N2CCN=C2C=O)c1
InChIInChI=1S/C11H12N2O2/c1-15-10-4-2-3-9(7-10)13-6-5-12-11(13)8-14/h2-4,7-8H,5-6H2,1H3
InChIKeyROSJHXRAXSYBJA-UHFFFAOYSA-N
XLogP1.11
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine
CID 45095290
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750
1-(3-methoxyphenyl)pyrrolidine-2-thione
CID 14089758
3-bromo-1-(3-methoxyphenyl)pyrazole-4-carbaldehyde
CID 165473214
1-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)imidazolidin-2-one
CID 20740841
[3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate
CID 58156920
1-(3-methoxyphenyl)-3-sulfanylpyrrolidin-2-one
CID 58957147
1-(3-methoxyphenyl)azepane
CID 57276431
1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde
CID 86662721
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 167374651
1-(3-methoxyphenyl)pyridin-4-one
CID 86100298

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde?
The IUPAC name of 1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde (CID 174908697) is 1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde.
What is the SMILES notation for 1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde?
The canonical SMILES for 1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde is COc1cccc(N2CCN=C2C=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde?
The InChIKey is ROSJHXRAXSYBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-10-4-2-3-9(7-10)13-6-5-12-11(13)8-14/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde?
1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde has a molecular weight of 204.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde is sourced from PubChem (CID 174908697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).