2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone

C24H20N2O2 — CID 16999755

IUPAC2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
SMILESCOc1ccc(/C=C/c2nc3ccccc3n2CC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2/c1-28-20-14-11-18(12-15-20)13-16-24-25-21-9-5-6-10-22(21)26(24)17-23(27)19-7-3-2-4-8-19/h2-16H,17H2,1H3/b16-13+
InChIKeyPEBFBFGHWLSPCX-DTQAZKPQSA-N
MW368.44 g/mol
LogP5.10
Rot. Bonds6

About 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone

2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone (PubChem CID 16999755) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
PubChem CID16999755
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
SMILESCOc1ccc(/C=C/c2nc3ccccc3n2CC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2/c1-28-20-14-11-18(12-15-20)13-16-24-25-21-9-5-6-10-22(21)26(24)17-23(27)19-7-3-2-4-8-19/h2-16H,17H2,1H3/b16-13+
InChIKeyPEBFBFGHWLSPCX-DTQAZKPQSA-N
XLogP5.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole
CID 5088588
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole
CID 6266974
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999687
1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999616
N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
CID 17031751
1-[4-(4-tert-butylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999729
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999714
2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide
CID 40837749
2-[2-(5-aminopyrazol-1-yl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 67166740

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone?
The IUPAC name of 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone (CID 16999755) is 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone is COc1ccc(/C=C/c2nc3ccccc3n2CC(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone?
The InChIKey is PEBFBFGHWLSPCX-DTQAZKPQSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-28-20-14-11-18(12-15-20)13-16-24-25-21-9-5-6-10-22(21)26(24)17-23(27)19-7-3-2-4-8-19/h2-16H,17H2,1H3/b16-13+.
What are the key properties of 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone?
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone has a molecular weight of 368.44 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone is sourced from PubChem (CID 16999755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).