2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole

C29H30N2O3 — CID 141119932

IUPAC2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESc1ccc2oc(-c3ccc(OCCCCCCOc4ccc(C5=NCCN5)cc4)cc3)cc2c1
InChIInChI=1S/C29H30N2O3/c1(2-6-20-33-26-15-11-23(12-16-26)29-30-17-18-31-29)5-19-32-25-13-9-22(10-14-25)28-21-24-7-3-4-8-27(24)34-28/h3-4,7-16,21H,1-2,5-6,17-20H2,(H,30,31)
InChIKeyURLVNLYIASAHHQ-UHFFFAOYSA-N
MW454.57 g/mol
LogP6.47
Rot. Bonds11

About 2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole

2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 141119932) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID141119932
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESc1ccc2oc(-c3ccc(OCCCCCCOc4ccc(C5=NCCN5)cc4)cc3)cc2c1
InChIInChI=1S/C29H30N2O3/c1(2-6-20-33-26-15-11-23(12-16-26)29-30-17-18-31-29)5-19-32-25-13-9-22(10-14-25)28-21-24-7-3-4-8-27(24)34-28/h3-4,7-16,21H,1-2,5-6,17-20H2,(H,30,31)
InChIKeyURLVNLYIASAHHQ-UHFFFAOYSA-N
XLogP6.47
TPSA55.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 11318412
2-[2-[4-(4-phenoxybutoxy)phenyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
CID 45272766
2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 11306162
2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110540504
2-[4-[5-[4-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)phenoxy]pentoxy]phenyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 127041641
2-[4-(2-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82242139
2,6-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine;dihydrochloride
CID 70695580
4-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethyl]morpholine
CID 82248212
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole
CID 11769428
2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide
CID 158320426
2-[5-(4-methoxyphenyl)-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazole
CID 22083539

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole (CID 141119932) is 2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole is c1ccc2oc(-c3ccc(OCCCCCCOc4ccc(C5=NCCN5)cc4)cc3)cc2c1.
What is the InChIKey of 2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is URLVNLYIASAHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1(2-6-20-33-26-15-11-23(12-16-26)29-30-17-18-31-29)5-19-32-25-13-9-22(10-14-25)28-21-24-7-3-4-8-27(24)34-28/h3-4,7-16,21H,1-2,5-6,17-20H2,(H,30,31).
What are the key properties of 2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole?
2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 454.57 g/mol, XLogP of 6.47, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 141119932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).