3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine

C25H25FN4 — CID 174304834

IUPAC3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine
SMILESFc1ccc(-c2ncn(CCCNCCc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C25H25FN4/c26-23-9-7-21(8-10-23)24-25(22-12-16-28-17-13-22)30(19-29-24)18-4-14-27-15-11-20-5-2-1-3-6-20/h1-3,5-10,12-13,16-17,19,27H,4,11,14-15,18H2
InChIKeyBHBKQRASIDNCFM-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.97
Rot. Bonds9

About 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine

3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine (PubChem CID 174304834) has the molecular formula C25H25FN4 and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine
PubChem CID174304834
Molecular FormulaC25H25FN4
Molecular Weight400.50 g/mol
Exact Mass400.21
IUPAC Name3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine
SMILESFc1ccc(-c2ncn(CCCNCCc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C25H25FN4/c26-23-9-7-21(8-10-23)24-25(22-12-16-28-17-13-22)30(19-29-24)18-4-14-27-15-11-20-5-2-1-3-6-20/h1-3,5-10,12-13,16-17,19,27H,4,11,14-15,18H2
InChIKeyBHBKQRASIDNCFM-UHFFFAOYSA-N
XLogP4.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.97
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 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine (CID 174304834) is 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine is Fc1ccc(-c2ncn(CCCNCCc3ccccc3)c2-c2ccncc2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine?
The InChIKey is BHBKQRASIDNCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4/c26-23-9-7-21(8-10-23)24-25(22-12-16-28-17-13-22)30(19-29-24)18-4-14-27-15-11-20-5-2-1-3-6-20/h1-3,5-10,12-13,16-17,19,27H,4,11,14-15,18H2.
What are the key properties of 3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine?
3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine has a molecular weight of 400.50 g/mol, XLogP of 4.97, 9 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]-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 174304834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).