1-[(2-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole

C20H15ClN2O — CID 6082354

IUPAC1-[(2-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
SMILESClc1ccccc1Cn1c(/C=C/c2ccco2)nc2ccccc21
InChIInChI=1S/C20H15ClN2O/c21-17-8-2-1-6-15(17)14-23-19-10-4-3-9-18(19)22-20(23)12-11-16-7-5-13-24-16/h1-13H,14H2/b12-11+
InChIKeyWSBJYAAZCOMDLJ-VAWYXSNFSA-N
MW334.81 g/mol
LogP5.50
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole

1-[(2-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole (PubChem CID 6082354) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
PubChem CID6082354
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name1-[(2-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
SMILESClc1ccccc1Cn1c(/C=C/c2ccco2)nc2ccccc21
InChIInChI=1S/C20H15ClN2O/c21-17-8-2-1-6-15(17)14-23-19-10-4-3-9-18(19)22-20(23)12-11-16-7-5-13-24-16/h1-13H,14H2/b12-11+
InChIKeyWSBJYAAZCOMDLJ-VAWYXSNFSA-N
XLogP5.50
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole (CID 6082354) is 1-[(2-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole is Clc1ccccc1Cn1c(/C=C/c2ccco2)nc2ccccc21.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole?
The InChIKey is WSBJYAAZCOMDLJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H15ClN2O/c21-17-8-2-1-6-15(17)14-23-19-10-4-3-9-18(19)22-20(23)12-11-16-7-5-13-24-16/h1-13H,14H2/b12-11+.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole?
1-[(2-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole has a molecular weight of 334.81 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole is sourced from PubChem (CID 6082354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).