3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine

C25H25FN4O — CID 10273406

IUPAC3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C25H25FN4O/c1-30(2)16-3-17-31-22-10-6-20(7-11-22)25-28-23(18-4-8-21(26)9-5-18)24(29-25)19-12-14-27-15-13-19/h4-15H,3,16-17H2,1-2H3,(H,28,29)
InChIKeyPZMFDOCJIRZYEY-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.28
Rot. Bonds8

About 3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine

3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 10273406) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine
PubChem CID10273406
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C25H25FN4O/c1-30(2)16-3-17-31-22-10-6-20(7-11-22)25-28-23(18-4-8-21(26)9-5-18)24(29-25)19-12-14-27-15-13-19/h4-15H,3,16-17H2,1-2H3,(H,28,29)
InChIKeyPZMFDOCJIRZYEY-UHFFFAOYSA-N
XLogP5.28
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.28
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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Related Compounds

CID 11656518
CID 11656518
CID 5169
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CID 72202474
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CID 68917
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CID 3792851
CID 3792851
CID 146659124
CID 146659124
CID 3641059
CID 3641059
CID 694963
CID 694963
CID 720519
CID 720519
CID 2876085
CID 2876085
CID 12024852
CID 12024852
CID 5329413
CID 5329413

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine (CID 10273406) is 3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is PZMFDOCJIRZYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c1-30(2)16-3-17-31-22-10-6-20(7-11-22)25-28-23(18-4-8-21(26)9-5-18)24(29-25)19-12-14-27-15-13-19/h4-15H,3,16-17H2,1-2H3,(H,28,29).
What are the key properties of 3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine?
3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 416.50 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 10273406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).