5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde

C11H9FN2O — CID 43313022

IUPAC5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde
SMILESCc1nccn1-c1ccc(F)cc1C=O
InChIInChI=1S/C11H9FN2O/c1-8-13-4-5-14(8)11-3-2-10(12)6-9(11)7-15/h2-7H,1H3
InChIKeyJCSIGZVAXAECOM-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.13
Rot. Bonds2

About 5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde

5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde (PubChem CID 43313022) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde
PubChem CID43313022
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde
SMILESCc1nccn1-c1ccc(F)cc1C=O
InChIInChI=1S/C11H9FN2O/c1-8-13-4-5-14(8)11-3-2-10(12)6-9(11)7-15/h2-7H,1H3
InChIKeyJCSIGZVAXAECOM-UHFFFAOYSA-N
XLogP2.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole
CID 43313562
1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 43188939
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 86845340
N-ethyl-1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 43284796
3,5-difluoro-4-(2-methylimidazol-1-yl)benzaldehyde
CID 63051739
5-fluoro-2-(3-methylpyrazol-1-yl)benzaldehyde
CID 62489155
1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 47085409
2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide
CID 55856619
1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117438181
1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75374809
4-amino-5-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329441
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 55133745

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde?
The IUPAC name of 5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde (CID 43313022) is 5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde.
What is the SMILES notation for 5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde?
The canonical SMILES for 5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde is Cc1nccn1-c1ccc(F)cc1C=O.
What is the InChIKey of 5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde?
The InChIKey is JCSIGZVAXAECOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-8-13-4-5-14(8)11-3-2-10(12)6-9(11)7-15/h2-7H,1H3.
What are the key properties of 5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde?
5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde has a molecular weight of 204.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde is sourced from PubChem (CID 43313022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).