1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole

C19H16N4O — CID 132544165

IUPAC1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
SMILESc1cn(-c2ccc(COc3ccc(-n4ccnc4)cc3)cc2)cn1
InChIInChI=1S/C19H16N4O/c1-3-17(22-11-9-20-14-22)4-2-16(1)13-24-19-7-5-18(6-8-19)23-12-10-21-15-23/h1-12,14-15H,13H2
InChIKeyKMZKHDAKLOXOIJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.64
Rot. Bonds5

About 1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole

1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole (PubChem CID 132544165) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole.

Molecular Properties

Compound Name1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
PubChem CID132544165
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
SMILESc1cn(-c2ccc(COc3ccc(-n4ccnc4)cc3)cc2)cn1
InChIInChI=1S/C19H16N4O/c1-3-17(22-11-9-20-14-22)4-2-16(1)13-24-19-7-5-18(6-8-19)23-12-10-21-15-23/h1-12,14-15H,13H2
InChIKeyKMZKHDAKLOXOIJ-UHFFFAOYSA-N
XLogP3.64
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-prop-2-enoxyphenyl)imidazole
CID 67611559
4-(4-imidazol-1-ylphenoxy)butan-1-ol
CID 91307784
6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine
CID 129036188
1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride
CID 67689860
tris(4-imidazol-1-ylphenyl) borate
CID 69353024
1-(4-hex-5-enoxyphenyl)imidazole
CID 86214589
1-(4-fluorophenoxy)-3-(4-imidazol-1-ylphenoxy)propan-2-ol
CID 109414595
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007
methyl 2-[[4-[2-(4-imidazol-1-ylphenoxy)ethyl]phenoxy]methyl]benzoate
CID 68869830
3-[(4-chlorophenoxy)methyl]-5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 112802190
2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 52770659
(4-imidazol-1-ylphenyl)methyl-methylazanium
CID 7157370

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole?
The IUPAC name of 1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole (CID 132544165) is 1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole.
What is the SMILES notation for 1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole?
The canonical SMILES for 1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole is c1cn(-c2ccc(COc3ccc(-n4ccnc4)cc3)cc2)cn1.
What is the InChIKey of 1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole?
The InChIKey is KMZKHDAKLOXOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-3-17(22-11-9-20-14-22)4-2-16(1)13-24-19-7-5-18(6-8-19)23-12-10-21-15-23/h1-12,14-15H,13H2.
What are the key properties of 1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole?
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole has a molecular weight of 316.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole is sourced from PubChem (CID 132544165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).