3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine

C14H18FN3 — CID 79812866

IUPAC3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C14H18FN3/c1-3-14(16,4-2)13-17-9-12(18-13)10-5-7-11(15)8-6-10/h5-9H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyAMJVONBEGSLVGX-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.19
Rot. Bonds4

About 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine

3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine (PubChem CID 79812866) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine
PubChem CID79812866
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C14H18FN3/c1-3-14(16,4-2)13-17-9-12(18-13)10-5-7-11(15)8-6-10/h5-9H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyAMJVONBEGSLVGX-UHFFFAOYSA-N
XLogP3.19
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine?
The IUPAC name of 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine (CID 79812866) is 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine is CCC(N)(CC)c1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine?
The InChIKey is AMJVONBEGSLVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-14(16,4-2)13-17-9-12(18-13)10-5-7-11(15)8-6-10/h5-9H,3-4,16H2,1-2H3,(H,17,18).
What are the key properties of 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine?
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine has a molecular weight of 247.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine is sourced from PubChem (CID 79812866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).