5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine

C14H18FN3 — CID 43651189

IUPAC5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
SMILESNCCCCCc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C14H18FN3/c15-12-7-5-11(6-8-12)13-10-17-14(18-13)4-2-1-3-9-16/h5-8,10H,1-4,9,16H2,(H,17,18)
InChIKeyVLQOJVBUKJQLES-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.89
Rot. Bonds6

About 5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine

5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine (PubChem CID 43651189) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
PubChem CID43651189
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
SMILESNCCCCCc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C14H18FN3/c15-12-7-5-11(6-8-12)13-10-17-14(18-13)4-2-1-3-9-16/h5-8,10H,1-4,9,16H2,(H,17,18)
InChIKeyVLQOJVBUKJQLES-UHFFFAOYSA-N
XLogP2.89
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine 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 5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine?
The IUPAC name of 5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine (CID 43651189) is 5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine?
The canonical SMILES for 5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine is NCCCCCc1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine?
The InChIKey is VLQOJVBUKJQLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c15-12-7-5-11(6-8-12)13-10-17-14(18-13)4-2-1-3-9-16/h5-8,10H,1-4,9,16H2,(H,17,18).
What are the key properties of 5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine?
5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 43651189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).