1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazole

C26H18N2O2 — CID 162648527

IUPAC1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazole
SMILESC(Cn1cnc2ccccc21)=C(c1cc2ccccc2o1)c1cc2ccccc2o1
InChIInChI=1S/C26H18N2O2/c1-5-11-23-18(7-1)15-25(29-23)20(26-16-19-8-2-6-12-24(19)30-26)13-14-28-17-27-21-9-3-4-10-22(21)28/h1-13,15-17H,14H2
InChIKeyPOMRUEBRZWKCGB-UHFFFAOYSA-N
MW390.44 g/mol
LogP6.66
Rot. Bonds4

About 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazole

1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazole (PubChem CID 162648527) has the molecular formula C26H18N2O2 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazole.

Molecular Properties

Compound Name1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazole
PubChem CID162648527
Molecular FormulaC26H18N2O2
Molecular Weight390.44 g/mol
Exact Mass390.14
IUPAC Name1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazole
SMILESC(Cn1cnc2ccccc21)=C(c1cc2ccccc2o1)c1cc2ccccc2o1
InChIInChI=1S/C26H18N2O2/c1-5-11-23-18(7-1)15-25(29-23)20(26-16-19-8-2-6-12-24(19)30-26)13-14-28-17-27-21-9-3-4-10-22(21)28/h1-13,15-17H,14H2
InChIKeyPOMRUEBRZWKCGB-UHFFFAOYSA-N
XLogP6.66
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazole?
The IUPAC name of 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazole (CID 162648527) is 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazole.
What is the SMILES notation for 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazole?
The canonical SMILES for 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazole is C(Cn1cnc2ccccc21)=C(c1cc2ccccc2o1)c1cc2ccccc2o1.
What is the InChIKey of 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazole?
The InChIKey is POMRUEBRZWKCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O2/c1-5-11-23-18(7-1)15-25(29-23)20(26-16-19-8-2-6-12-24(19)30-26)13-14-28-17-27-21-9-3-4-10-22(21)28/h1-13,15-17H,14H2.
What are the key properties of 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazole?
1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazole has a molecular weight of 390.44 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-bis(1-benzofuran-2-yl)prop-2-enyl]benzimidazole is sourced from PubChem (CID 162648527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).