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

C27H26N2O3 — CID 45272766

IUPAC2-[2-[4-(4-phenoxybutoxy)phenyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
SMILESc1ccc(OCCCCOc2ccc(-c3cc4ccc(C5=NCCN5)cc4o3)cc2)cc1
InChIInChI=1S/C27H26N2O3/c1-2-6-23(7-3-1)30-16-4-5-17-31-24-12-10-20(11-13-24)25-18-21-8-9-22(19-26(21)32-25)27-28-14-15-29-27/h1-3,6-13,18-19H,4-5,14-17H2,(H,28,29)
InChIKeyIJEQAJMRGYMJAG-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.69
Rot. Bonds9

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

2-[2-[4-(4-phenoxybutoxy)phenyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole (PubChem CID 45272766) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[2-[4-(4-phenoxybutoxy)phenyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[4-(4-phenoxybutoxy)phenyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
PubChem CID45272766
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name2-[2-[4-(4-phenoxybutoxy)phenyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
SMILESc1ccc(OCCCCOc2ccc(-c3cc4ccc(C5=NCCN5)cc4o3)cc2)cc1
InChIInChI=1S/C27H26N2O3/c1-2-6-23(7-3-1)30-16-4-5-17-31-24-12-10-20(11-13-24)25-18-21-8-9-22(19-26(21)32-25)27-28-14-15-29-27/h1-3,6-13,18-19H,4-5,14-17H2,(H,28,29)
InChIKeyIJEQAJMRGYMJAG-UHFFFAOYSA-N
XLogP5.69
TPSA55.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.69
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-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 141119932
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-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
CID 11292047
2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110540504
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole
CID 11769428
2-[4-(5-phenoxypentoxy)phenyl]-1-benzofuran-6-carboximidamide
CID 45271050
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
2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82251671
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide
CID 82240196

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-phenoxybutoxy)phenyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[4-(4-phenoxybutoxy)phenyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole (CID 45272766) is 2-[2-[4-(4-phenoxybutoxy)phenyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[4-(4-phenoxybutoxy)phenyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[4-(4-phenoxybutoxy)phenyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole is c1ccc(OCCCCOc2ccc(-c3cc4ccc(C5=NCCN5)cc4o3)cc2)cc1.
What is the InChIKey of 2-[2-[4-(4-phenoxybutoxy)phenyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is IJEQAJMRGYMJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-2-6-23(7-3-1)30-16-4-5-17-31-24-12-10-20(11-13-24)25-18-21-8-9-22(19-26(21)32-25)27-28-14-15-29-27/h1-3,6-13,18-19H,4-5,14-17H2,(H,28,29).
What are the key properties of 2-[2-[4-(4-phenoxybutoxy)phenyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole?
2-[2-[4-(4-phenoxybutoxy)phenyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 426.52 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-phenoxybutoxy)phenyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 45272766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).