6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine

C15H15N3O — CID 129036188

IUPAC6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine
SMILESC1=NC(COc2ccc(-n3ccnc3)cc2)=CCC1
InChIInChI=1S/C15H15N3O/c1-2-8-17-13(3-1)11-19-15-6-4-14(5-7-15)18-10-9-16-12-18/h3-10,12H,1-2,11H2
InChIKeyBUXGYMHLFMRXRH-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.00
Rot. Bonds4

About 6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine

6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine (PubChem CID 129036188) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine.

Molecular Properties

Compound Name6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine
PubChem CID129036188
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine
SMILESC1=NC(COc2ccc(-n3ccnc3)cc2)=CCC1
InChIInChI=1S/C15H15N3O/c1-2-8-17-13(3-1)11-19-15-6-4-14(5-7-15)18-10-9-16-12-18/h3-10,12H,1-2,11H2
InChIKeyBUXGYMHLFMRXRH-UHFFFAOYSA-N
XLogP3.00
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
1-(4-prop-2-enoxyphenyl)imidazole
CID 67611559
4-(4-imidazol-1-ylphenoxy)butan-1-ol
CID 91307784
1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride
CID 67689860
tris(4-imidazol-1-ylphenyl) borate
CID 69353024
2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141386825
1-(4-hex-5-enoxyphenyl)imidazole
CID 86214589
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007
1-(4-fluorophenoxy)-3-(4-imidazol-1-ylphenoxy)propan-2-ol
CID 109414595
1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole
CID 21193484
1-(4-butan-2-yloxyphenyl)imidazole
CID 91295981
2-(4-imidazol-1-ylphenoxy)ethyl N,N-dimethylsulfamate
CID 54128900

Frequently Asked Questions

What is the IUPAC name of 6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine?
The IUPAC name of 6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine (CID 129036188) is 6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine.
What is the SMILES notation for 6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine?
The canonical SMILES for 6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine is C1=NC(COc2ccc(-n3ccnc3)cc2)=CCC1.
What is the InChIKey of 6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine?
The InChIKey is BUXGYMHLFMRXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-8-17-13(3-1)11-19-15-6-4-14(5-7-15)18-10-9-16-12-18/h3-10,12H,1-2,11H2.
What are the key properties of 6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine?
6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine has a molecular weight of 253.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine is sourced from PubChem (CID 129036188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).