2-fluoro-5-imidazol-1-ylpentanal

C8H11FN2O — CID 55266749

IUPAC2-fluoro-5-imidazol-1-ylpentanal
SMILESO=CC(F)CCCn1ccnc1
InChIInChI=1S/C8H11FN2O/c9-8(6-12)2-1-4-11-5-3-10-7-11/h3,5-8H,1-2,4H2
InChIKeyNLDLVFBQCOCMMR-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.20
Rot. Bonds5

About 2-fluoro-5-imidazol-1-ylpentanal

2-fluoro-5-imidazol-1-ylpentanal (PubChem CID 55266749) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 2-fluoro-5-imidazol-1-ylpentanal.

Molecular Properties

Compound Name2-fluoro-5-imidazol-1-ylpentanal
PubChem CID55266749
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name2-fluoro-5-imidazol-1-ylpentanal
SMILESO=CC(F)CCCn1ccnc1
InChIInChI=1S/C8H11FN2O/c9-8(6-12)2-1-4-11-5-3-10-7-11/h3,5-8H,1-2,4H2
InChIKeyNLDLVFBQCOCMMR-UHFFFAOYSA-N
XLogP1.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-imidazol-1-ylpentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-imidazol-1-ylhexan-3-ol
CID 106802503
N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine
CID 115406678
2-chloro-8-imidazol-1-yloctanoic acid;hydrochloride
CID 12870510
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-(5-imidazol-1-ylpentan-2-yl)imidazole
CID 174937181
1-(7-methyloctyl)imidazole
CID 59001100
6-imidazol-1-yl-3-methylhexan-1-ol
CID 144712002
5-imidazol-1-yl-2-(methylamino)pentanoic acid
CID 174175752
4-imidazol-1-ylbutanenitrile
CID 10855507
(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine
CID 28993669
3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 19864194
1-(3-chloropropyl)imidazole;hydrochloride
CID 75539477

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-imidazol-1-ylpentanal?
The IUPAC name of 2-fluoro-5-imidazol-1-ylpentanal (CID 55266749) is 2-fluoro-5-imidazol-1-ylpentanal.
What is the SMILES notation for 2-fluoro-5-imidazol-1-ylpentanal?
The canonical SMILES for 2-fluoro-5-imidazol-1-ylpentanal is O=CC(F)CCCn1ccnc1.
What is the InChIKey of 2-fluoro-5-imidazol-1-ylpentanal?
The InChIKey is NLDLVFBQCOCMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c9-8(6-12)2-1-4-11-5-3-10-7-11/h3,5-8H,1-2,4H2.
What are the key properties of 2-fluoro-5-imidazol-1-ylpentanal?
2-fluoro-5-imidazol-1-ylpentanal has a molecular weight of 170.19 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-imidazol-1-ylpentanal is sourced from PubChem (CID 55266749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).