2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride

C21H26Cl2N4O2 — CID 159025914

IUPAC2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride
SMILESC.C.Cl.Cl.c1c[nH]c(-c2ccc(OCOc3ccc(-c4ncc[nH]4)cc3)cc2)n1
InChIInChI=1S/C19H16N4O2.2CH4.2ClH/c1-5-16(6-2-14(1)18-20-9-10-21-18)24-13-25-17-7-3-15(4-8-17)19-22-11-12-23-19;;;;/h1-12H,13H2,(H,20,21)(H,22,23);2*1H4;2*1H
InChIKeyIPFWAONZFIEXJW-UHFFFAOYSA-N
MW437.37 g/mol
LogP6.00
Rot. Bonds6

About 2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride

2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride (PubChem CID 159025914) has the molecular formula C21H26Cl2N4O2 and a molecular weight of 437.37 g/mol. Its IUPAC name is 2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride.

Molecular Properties

Compound Name2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride
PubChem CID159025914
Molecular FormulaC21H26Cl2N4O2
Molecular Weight437.37 g/mol
Exact Mass436.14
IUPAC Name2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride
SMILESC.C.Cl.Cl.c1c[nH]c(-c2ccc(OCOc3ccc(-c4ncc[nH]4)cc3)cc2)n1
InChIInChI=1S/C19H16N4O2.2CH4.2ClH/c1-5-16(6-2-14(1)18-20-9-10-21-18)24-13-25-17-7-3-15(4-8-17)19-22-11-12-23-19;;;;/h1-12H,13H2,(H,20,21)(H,22,23);2*1H4;2*1H
InChIKeyIPFWAONZFIEXJW-UHFFFAOYSA-N
XLogP6.00
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.37
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[4-(1H-imidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 56720449
2-(4-bromophenyl)-1H-imidazole;hydrobromide
CID 174990772
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
N-[4-[[4-(1H-imidazol-2-ylamino)phenoxy]methoxy]phenyl]-1H-imidazol-2-amine;molecular hydrogen;dihydrochloride
CID 159383371
1,3-bis[4-(1H-imidazol-2-yl)phenyl]-4,5,6,7-tetrahydro-2H-isoindole;dihydrochloride
CID 23301389
2-(4-fluorophenoxy)-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 110726553
[(2S)-2-hydroxy-3-[4-(1H-imidazol-2-yl)phenoxy]propyl] methanesulfonate
CID 125479385
4-(1H-imidazol-2-yl)benzoic acid;hydrochloride
CID 68829715
ethane;2-phenyl-1H-imidazole
CID 142210082
5-[4-(1H-imidazol-2-yl)phenyl]-2H-tetrazole
CID 123654814
2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride
CID 139785125
2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride
CID 139785129

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride?
The IUPAC name of 2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride (CID 159025914) is 2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride.
What is the SMILES notation for 2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride?
The canonical SMILES for 2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride is C.C.Cl.Cl.c1c[nH]c(-c2ccc(OCOc3ccc(-c4ncc[nH]4)cc3)cc2)n1.
What is the InChIKey of 2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride?
The InChIKey is IPFWAONZFIEXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2.2CH4.2ClH/c1-5-16(6-2-14(1)18-20-9-10-21-18)24-13-25-17-7-3-15(4-8-17)19-22-11-12-23-19;;;;/h1-12H,13H2,(H,20,21)(H,22,23);2*1H4;2*1H.
What are the key properties of 2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride?
2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride has a molecular weight of 437.37 g/mol, XLogP of 6.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride is sourced from PubChem (CID 159025914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).