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

C24H23FN4 — CID 10452739

IUPACN-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine
SMILESFc1ccc(-c2ncn(CCCNCc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C24H23FN4/c25-22-9-7-20(8-10-22)23-24(21-11-14-26-15-12-21)29(18-28-23)16-4-13-27-17-19-5-2-1-3-6-19/h1-3,5-12,14-15,18,27H,4,13,16-17H2
InChIKeyIFJJHTBJGFJLAS-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.93
Rot. Bonds8

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

N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine (PubChem CID 10452739) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine
PubChem CID10452739
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC NameN-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine
SMILESFc1ccc(-c2ncn(CCCNCc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C24H23FN4/c25-22-9-7-20(8-10-22)23-24(21-11-14-26-15-12-21)29(18-28-23)16-4-13-27-17-19-5-2-1-3-6-19/h1-3,5-12,14-15,18,27H,4,13,16-17H2
InChIKeyIFJJHTBJGFJLAS-UHFFFAOYSA-N
XLogP4.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine?
The IUPAC name of N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine (CID 10452739) is N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine.
What is the SMILES notation for N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine?
The canonical SMILES for N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine is Fc1ccc(-c2ncn(CCCNCc3ccccc3)c2-c2ccncc2)cc1.
What is the InChIKey of N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine?
The InChIKey is IFJJHTBJGFJLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4/c25-22-9-7-20(8-10-22)23-24(21-11-14-26-15-12-21)29(18-28-23)16-4-13-27-17-19-5-2-1-3-6-19/h1-3,5-12,14-15,18,27H,4,13,16-17H2.
What are the key properties of N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine?
N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine has a molecular weight of 386.47 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine is sourced from PubChem (CID 10452739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).