3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine

C17H17FN4 — CID 10424642

IUPAC3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine
SMILESNCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C17H17FN4/c18-15-4-2-13(3-5-15)16-17(14-6-9-20-10-7-14)22(12-21-16)11-1-8-19/h2-7,9-10,12H,1,8,11,19H2
InChIKeyAIZGSJRXZMRUPZ-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.10
Rot. Bonds5

About 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine

3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine (PubChem CID 10424642) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine
PubChem CID10424642
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine
SMILESNCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C17H17FN4/c18-15-4-2-13(3-5-15)16-17(14-6-9-20-10-7-14)22(12-21-16)11-1-8-19/h2-7,9-10,12H,1,8,11,19H2
InChIKeyAIZGSJRXZMRUPZ-UHFFFAOYSA-N
XLogP3.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine (CID 10424642) is 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine is NCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine?
The InChIKey is AIZGSJRXZMRUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c18-15-4-2-13(3-5-15)16-17(14-6-9-20-10-7-14)22(12-21-16)11-1-8-19/h2-7,9-10,12H,1,8,11,19H2.
What are the key properties of 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine?
3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine has a molecular weight of 296.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine is sourced from PubChem (CID 10424642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).