4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole

C25H19FN2O2 — CID 139775453

IUPAC4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole
SMILESFc1ccc(-c2nc(-c3ccc4c(c3)CCO4)c(-c3ccc4c(c3)CCO4)[nH]2)cc1
InChIInChI=1S/C25H19FN2O2/c26-20-5-1-15(2-6-20)25-27-23(18-3-7-21-16(13-18)9-11-29-21)24(28-25)19-4-8-22-17(14-19)10-12-30-22/h1-8,13-14H,9-12H2,(H,27,28)
InChIKeyFPOIITZSVWWTCH-UHFFFAOYSA-N
MW398.44 g/mol
LogP5.42
Rot. Bonds3

About 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole

4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole (PubChem CID 139775453) has the molecular formula C25H19FN2O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole
PubChem CID139775453
Molecular FormulaC25H19FN2O2
Molecular Weight398.44 g/mol
Exact Mass398.14
IUPAC Name4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole
SMILESFc1ccc(-c2nc(-c3ccc4c(c3)CCO4)c(-c3ccc4c(c3)CCO4)[nH]2)cc1
InChIInChI=1S/C25H19FN2O2/c26-20-5-1-15(2-6-20)25-27-23(18-3-7-21-16(13-18)9-11-29-21)24(28-25)19-4-8-22-17(14-19)10-12-30-22/h1-8,13-14H,9-12H2,(H,27,28)
InChIKeyFPOIITZSVWWTCH-UHFFFAOYSA-N
XLogP5.42
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione
CID 139775443
2-(4-fluorophenyl)-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 43168735
[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721133
8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione
CID 115600454
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
4-(2,3-dihydro-1-benzofuran-5-yl)-3-fluorophenol
CID 104545385
5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine
CID 62198669
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158401557
6-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 104544727
4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106521391
5-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-1H-1,2,4-triazole-3-thione
CID 104601953
2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole
CID 116884325

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole?
The IUPAC name of 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole (CID 139775453) is 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole.
What is the SMILES notation for 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole?
The canonical SMILES for 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole is Fc1ccc(-c2nc(-c3ccc4c(c3)CCO4)c(-c3ccc4c(c3)CCO4)[nH]2)cc1.
What is the InChIKey of 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole?
The InChIKey is FPOIITZSVWWTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O2/c26-20-5-1-15(2-6-20)25-27-23(18-3-7-21-16(13-18)9-11-29-21)24(28-25)19-4-8-22-17(14-19)10-12-30-22/h1-8,13-14H,9-12H2,(H,27,28).
What are the key properties of 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole?
4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole has a molecular weight of 398.44 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole is sourced from PubChem (CID 139775453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).