2-[(E)-2-(furan-2-yl)ethenyl]-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole

C23H18N4O — CID 14518540

IUPAC2-[(E)-2-(furan-2-yl)ethenyl]-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole
SMILESC(=C/c1ccco1)\c1nc2ccc(C(c3ccccc3)n3ccnc3)cc2[nH]1
InChIInChI=1S/C23H18N4O/c1-2-5-17(6-3-1)23(27-13-12-24-16-27)18-8-10-20-21(15-18)26-22(25-20)11-9-19-7-4-14-28-19/h1-16,23H,(H,25,26)/b11-9+
InChIKeyMGAOACOJXYGOCR-PKNBQFBNSA-N
MW366.42 g/mol
LogP5.16
Rot. Bonds5

About 2-[(E)-2-(furan-2-yl)ethenyl]-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole

2-[(E)-2-(furan-2-yl)ethenyl]-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole (PubChem CID 14518540) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[(E)-2-(furan-2-yl)ethenyl]-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(furan-2-yl)ethenyl]-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole
PubChem CID14518540
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name2-[(E)-2-(furan-2-yl)ethenyl]-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole
SMILESC(=C/c1ccco1)\c1nc2ccc(C(c3ccccc3)n3ccnc3)cc2[nH]1
InChIInChI=1S/C23H18N4O/c1-2-5-17(6-3-1)23(27-13-12-24-16-27)18-8-10-20-21(15-18)26-22(25-20)11-9-19-7-4-14-28-19/h1-16,23H,(H,25,26)/b11-9+
InChIKeyMGAOACOJXYGOCR-PKNBQFBNSA-N
XLogP5.16
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole (CID 14518540) is 2-[(E)-2-(furan-2-yl)ethenyl]-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(E)-2-(furan-2-yl)ethenyl]-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(E)-2-(furan-2-yl)ethenyl]-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole is C(=C/c1ccco1)\c1nc2ccc(C(c3ccccc3)n3ccnc3)cc2[nH]1.
What is the InChIKey of 2-[(E)-2-(furan-2-yl)ethenyl]-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole?
The InChIKey is MGAOACOJXYGOCR-PKNBQFBNSA-N. The full InChI is InChI=1S/C23H18N4O/c1-2-5-17(6-3-1)23(27-13-12-24-16-27)18-8-10-20-21(15-18)26-22(25-20)11-9-19-7-4-14-28-19/h1-16,23H,(H,25,26)/b11-9+.
What are the key properties of 2-[(E)-2-(furan-2-yl)ethenyl]-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole?
2-[(E)-2-(furan-2-yl)ethenyl]-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole has a molecular weight of 366.42 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(furan-2-yl)ethenyl]-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 14518540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).