3-phenylmethoxyimidazole-4-carbaldehyde

C11H10N2O2 — CID 11084886

IUPAC3-phenylmethoxyimidazole-4-carbaldehyde
SMILESO=Cc1cncn1OCc1ccccc1
InChIInChI=1S/C11H10N2O2/c14-7-11-6-12-9-13(11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyVWCOBNSRFKNVED-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.32
Rot. Bonds4

About 3-phenylmethoxyimidazole-4-carbaldehyde

3-phenylmethoxyimidazole-4-carbaldehyde (PubChem CID 11084886) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-phenylmethoxyimidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-phenylmethoxyimidazole-4-carbaldehyde
PubChem CID11084886
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3-phenylmethoxyimidazole-4-carbaldehyde
SMILESO=Cc1cncn1OCc1ccccc1
InChIInChI=1S/C11H10N2O2/c14-7-11-6-12-9-13(11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyVWCOBNSRFKNVED-UHFFFAOYSA-N
XLogP1.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.32
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

1-phenylmethoxypyrazin-2-one
CID 685465
4,5-dibromo-1-phenylmethoxypyrazole
CID 10314667
3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde
CID 66148661
1-phenylmethoxypyrrole-3-carbaldehyde
CID 23130676
[3-[(2-phenylmethoxyacetyl)amino]imidazol-4-yl]methyl formate
CID 174948799
6-phenylmethoxypyridine-3-carbaldehyde
CID 21102205
4-ethyl-1-phenylmethoxypyrazole
CID 119082094
3,5-dimethyl-1-phenylmethoxypyrazole-4-carboxylic acid;ethane
CID 143284338
5-(2-phenylmethoxyindol-1-yl)imidazole-1-carbaldehyde
CID 69489886
3-fluoro-1-phenylmethoxypyrimidine-2,4-dione
CID 54119422
(4-methyl-1-phenylmethoxypyrazol-5-yl)methanol
CID 10965992
2-iodo-1-phenylmethoxyimidazole
CID 5325030

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxyimidazole-4-carbaldehyde?
The IUPAC name of 3-phenylmethoxyimidazole-4-carbaldehyde (CID 11084886) is 3-phenylmethoxyimidazole-4-carbaldehyde.
What is the SMILES notation for 3-phenylmethoxyimidazole-4-carbaldehyde?
The canonical SMILES for 3-phenylmethoxyimidazole-4-carbaldehyde is O=Cc1cncn1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxyimidazole-4-carbaldehyde?
The InChIKey is VWCOBNSRFKNVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-7-11-6-12-9-13(11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 3-phenylmethoxyimidazole-4-carbaldehyde?
3-phenylmethoxyimidazole-4-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxyimidazole-4-carbaldehyde is sourced from PubChem (CID 11084886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).