2-[4-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole

C26H26N4O2 — CID 10224330

IUPAC2-[4-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESc1cc(COc2ccc(C3=NCCN3)cc2)ccc1COc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C26H26N4O2/c1-2-20(18-32-24-11-7-22(8-12-24)26-29-15-16-30-26)4-3-19(1)17-31-23-9-5-21(6-10-23)25-27-13-14-28-25/h1-12H,13-18H2,(H,27,28)(H,29,30)
InChIKeyCNVVHCGYQNGXGU-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.54
Rot. Bonds8

About 2-[4-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole

2-[4-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 10224330) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[4-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID10224330
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-[4-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESc1cc(COc2ccc(C3=NCCN3)cc2)ccc1COc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C26H26N4O2/c1-2-20(18-32-24-11-7-22(8-12-24)26-29-15-16-30-26)4-3-19(1)17-31-23-9-5-21(6-10-23)25-27-13-14-28-25/h1-12H,13-18H2,(H,27,28)(H,29,30)
InChIKeyCNVVHCGYQNGXGU-UHFFFAOYSA-N
XLogP3.54
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole (CID 10224330) is 2-[4-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole is c1cc(COc2ccc(C3=NCCN3)cc2)ccc1COc1ccc(C2=NCCN2)cc1.
What is the InChIKey of 2-[4-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is CNVVHCGYQNGXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-2-20(18-32-24-11-7-22(8-12-24)26-29-15-16-30-26)4-3-19(1)17-31-23-9-5-21(6-10-23)25-27-13-14-28-25/h1-12H,13-18H2,(H,27,28)(H,29,30).
What are the key properties of 2-[4-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole?
2-[4-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 426.52 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10224330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).