2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole

C25H20N2O2 — CID 16999922

IUPAC2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
SMILESC(=C/c1nc2ccccc2n1CCOc1cccc2ccccc12)\c1ccco1
InChIInChI=1S/C25H20N2O2/c1-2-10-21-19(7-1)8-5-13-24(21)29-18-16-27-23-12-4-3-11-22(23)26-25(27)15-14-20-9-6-17-28-20/h1-15,17H,16,18H2/b15-14+
InChIKeyMHOLUCSWDFKCHH-CCEZHUSRSA-N
MW380.45 g/mol
LogP6.03
Rot. Bonds6

About 2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole

2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole (PubChem CID 16999922) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
PubChem CID16999922
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
SMILESC(=C/c1nc2ccccc2n1CCOc1cccc2ccccc12)\c1ccco1
InChIInChI=1S/C25H20N2O2/c1-2-10-21-19(7-1)8-5-13-24(21)29-18-16-27-23-12-4-3-11-22(23)26-25(27)15-14-20-9-6-17-28-20/h1-15,17H,16,18H2/b15-14+
InChIKeyMHOLUCSWDFKCHH-CCEZHUSRSA-N
XLogP6.03
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16999920
1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole
CID 3723983
2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16999930
1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879223
2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole
CID 7574428
2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole
CID 16999879
1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
CID 16999939
2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole
CID 3162026
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
CID 16999945
2-[2-(furan-2-yl)ethenyl]-1-methylbenzimidazole
CID 2871543
2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propan-2-ol
CID 19242287
2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole
CID 6155001

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole?
The IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole (CID 16999922) is 2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole.
What is the SMILES notation for 2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole?
The canonical SMILES for 2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole is C(=C/c1nc2ccccc2n1CCOc1cccc2ccccc12)\c1ccco1.
What is the InChIKey of 2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole?
The InChIKey is MHOLUCSWDFKCHH-CCEZHUSRSA-N. The full InChI is InChI=1S/C25H20N2O2/c1-2-10-21-19(7-1)8-5-13-24(21)29-18-16-27-23-12-4-3-11-22(23)26-25(27)15-14-20-9-6-17-28-20/h1-15,17H,16,18H2/b15-14+.
What are the key properties of 2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole?
2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole has a molecular weight of 380.45 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole is sourced from PubChem (CID 16999922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).