4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol

C14H12FN3O — CID 137213705

IUPAC4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol
SMILESOc1ccc(-c2cnc(C3=CNC(F)C=C3)[nH]2)cc1
InChIInChI=1S/C14H12FN3O/c15-13-6-3-10(7-16-13)14-17-8-12(18-14)9-1-4-11(19)5-2-9/h1-8,13,16,19H,(H,17,18)
InChIKeyINUIORUIUVFVQR-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.58
Rot. Bonds2

About 4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol

4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol (PubChem CID 137213705) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol
PubChem CID137213705
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol
SMILESOc1ccc(-c2cnc(C3=CNC(F)C=C3)[nH]2)cc1
InChIInChI=1S/C14H12FN3O/c15-13-6-3-10(7-16-13)14-17-8-12(18-14)9-1-4-11(19)5-2-9/h1-8,13,16,19H,(H,17,18)
InChIKeyINUIORUIUVFVQR-UHFFFAOYSA-N
XLogP2.58
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol?
The IUPAC name of 4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol (CID 137213705) is 4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol.
What is the SMILES notation for 4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol?
The canonical SMILES for 4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol is Oc1ccc(-c2cnc(C3=CNC(F)C=C3)[nH]2)cc1.
What is the InChIKey of 4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol?
The InChIKey is INUIORUIUVFVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-13-6-3-10(7-16-13)14-17-8-12(18-14)9-1-4-11(19)5-2-9/h1-8,13,16,19H,(H,17,18).
What are the key properties of 4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol?
4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol has a molecular weight of 257.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoro-1,2-dihydropyridin-5-yl)-1H-imidazol-5-yl]phenol is sourced from PubChem (CID 137213705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).