2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde

C11H9FN2O2 — CID 87404424

IUPAC2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde
SMILESCOc1ccc(F)c(-c2ncc(C=O)[nH]2)c1
InChIInChI=1S/C11H9FN2O2/c1-16-8-2-3-10(12)9(4-8)11-13-5-7(6-15)14-11/h2-6H,1H3,(H,13,14)
InChIKeySCJQENBBDPJGRW-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.04
Rot. Bonds3

About 2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde

2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde (PubChem CID 87404424) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde
PubChem CID87404424
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde
SMILESCOc1ccc(F)c(-c2ncc(C=O)[nH]2)c1
InChIInChI=1S/C11H9FN2O2/c1-16-8-2-3-10(12)9(4-8)11-13-5-7(6-15)14-11/h2-6H,1H3,(H,13,14)
InChIKeySCJQENBBDPJGRW-UHFFFAOYSA-N
XLogP2.04
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde
CID 172909455
4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876954
2-(3,4,5-trimethoxyphenyl)-1H-imidazole-5-carbaldehyde
CID 95468133
2-(4-chloro-3-fluorophenyl)-1H-imidazole-5-carbaldehyde
CID 82391783
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220437
6-(2-fluoro-5-methoxyphenyl)pyridine-3-carboxylic acid
CID 53223365
6-(2,4-dimethoxyphenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106516713
4-fluoro-3-(4-methoxyphenyl)benzaldehyde
CID 39231865
3-(2-fluoro-5-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine
CID 56701891
1-fluoro-4-methoxy-2-[4-[(E)-prop-1-enyl]phenyl]benzene
CID 145014279
4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650701
2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde?
The IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde (CID 87404424) is 2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde is COc1ccc(F)c(-c2ncc(C=O)[nH]2)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde?
The InChIKey is SCJQENBBDPJGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-16-8-2-3-10(12)9(4-8)11-13-5-7(6-15)14-11/h2-6H,1H3,(H,13,14).
What are the key properties of 2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde?
2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde has a molecular weight of 220.20 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde is sourced from PubChem (CID 87404424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).