2-imidazol-1-yl-5-methoxybenzaldehyde

C11H10N2O2 — CID 84670593

IUPAC2-imidazol-1-yl-5-methoxybenzaldehyde
SMILESCOc1ccc(-n2ccnc2)c(C=O)c1
InChIInChI=1S/C11H10N2O2/c1-15-10-2-3-11(9(6-10)7-14)13-5-4-12-8-13/h2-8H,1H3
InChIKeySOJXNEAIJPVFJL-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.69
Rot. Bonds3

About 2-imidazol-1-yl-5-methoxybenzaldehyde

2-imidazol-1-yl-5-methoxybenzaldehyde (PubChem CID 84670593) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-imidazol-1-yl-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-imidazol-1-yl-5-methoxybenzaldehyde
PubChem CID84670593
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-imidazol-1-yl-5-methoxybenzaldehyde
SMILESCOc1ccc(-n2ccnc2)c(C=O)c1
InChIInChI=1S/C11H10N2O2/c1-15-10-2-3-11(9(6-10)7-14)13-5-4-12-8-13/h2-8H,1H3
InChIKeySOJXNEAIJPVFJL-UHFFFAOYSA-N
XLogP1.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.69
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

5-methoxy-2-pyrrol-1-ylbenzaldehyde
CID 121010613
dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate
CID 159846685
1-[2-(3-methoxyphenyl)phenyl]imidazole
CID 57072963
3-chloro-4-imidazol-1-ylbenzaldehyde
CID 23629424
(E)-3-(2,4-dimethoxyphenyl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 60585064
1-(2-methoxy-4-nitrophenyl)imidazole
CID 22459644
1-(2-methoxy-4-propan-2-ylphenyl)imidazole
CID 59583786
5-methoxypyrazolo[1,5-a]pyridine-2-carbaldehyde
CID 83481877
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181
3-chloro-2-imidazol-1-yl-7-methoxyquinoline
CID 90117535
2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde
CID 58542008
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide
CID 136527948

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-5-methoxybenzaldehyde?
The IUPAC name of 2-imidazol-1-yl-5-methoxybenzaldehyde (CID 84670593) is 2-imidazol-1-yl-5-methoxybenzaldehyde.
What is the SMILES notation for 2-imidazol-1-yl-5-methoxybenzaldehyde?
The canonical SMILES for 2-imidazol-1-yl-5-methoxybenzaldehyde is COc1ccc(-n2ccnc2)c(C=O)c1.
What is the InChIKey of 2-imidazol-1-yl-5-methoxybenzaldehyde?
The InChIKey is SOJXNEAIJPVFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-10-2-3-11(9(6-10)7-14)13-5-4-12-8-13/h2-8H,1H3.
What are the key properties of 2-imidazol-1-yl-5-methoxybenzaldehyde?
2-imidazol-1-yl-5-methoxybenzaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-5-methoxybenzaldehyde is sourced from PubChem (CID 84670593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).