3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde

C12H11ClN2O3 — CID 66148246

IUPAC3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde
SMILESCOc1cc(-n2cncc2C=O)c(OC)cc1Cl
InChIInChI=1S/C12H11ClN2O3/c1-17-11-4-10(12(18-2)3-9(11)13)15-7-14-5-8(15)6-16/h3-7H,1-2H3
InChIKeyDXLXAZCKKRBGHX-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.36
Rot. Bonds4

About 3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde

3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde (PubChem CID 66148246) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde
PubChem CID66148246
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde
SMILESCOc1cc(-n2cncc2C=O)c(OC)cc1Cl
InChIInChI=1S/C12H11ClN2O3/c1-17-11-4-10(12(18-2)3-9(11)13)15-7-14-5-8(15)6-16/h3-7H,1-2H3
InChIKeyDXLXAZCKKRBGHX-UHFFFAOYSA-N
XLogP2.36
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole
CID 114716743
2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114707996
1-(4-chloro-2,5-dimethoxyphenyl)-3-methylpyrazole-4-carbaldehyde
CID 84617560
3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole
CID 63384718
4-chloro-5-methoxy-2-methylbenzaldehyde
CID 84769512
1-(5-chloro-2,4-dimethoxyphenyl)triazole-4-carbaldehyde
CID 122241271
2-acetyl-4-chloro-5-methoxybenzaldehyde
CID 171002422
4-bromo-1-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2-carboxylic acid
CID 114603939
4-[(5-formylimidazol-1-yl)methyl]-2-methoxybenzonitrile
CID 22464402
5-chloro-3-methoxy-2-[(3-methylimidazol-4-yl)methoxy]benzaldehyde
CID 104665577
9-(4-chloro-2,5-dimethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62714291
1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine
CID 117002859

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde?
The IUPAC name of 3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde (CID 66148246) is 3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde?
The canonical SMILES for 3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde is COc1cc(-n2cncc2C=O)c(OC)cc1Cl.
What is the InChIKey of 3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde?
The InChIKey is DXLXAZCKKRBGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-17-11-4-10(12(18-2)3-9(11)13)15-7-14-5-8(15)6-16/h3-7H,1-2H3.
What are the key properties of 3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde?
3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde has a molecular weight of 266.68 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 66148246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).