[(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate

C24H20N2O2 — CID 5334924

IUPAC[(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate
SMILESCCn1c(/C=C(/OC(=O)c2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H20N2O2/c1-2-26-21-16-10-9-15-20(21)25-23(26)17-22(18-11-5-3-6-12-18)28-24(27)19-13-7-4-8-14-19/h3-17H,2H2,1H3/b22-17+
InChIKeyXFMVJRHOAZGVGY-OQKWZONESA-N
MW368.44 g/mol
LogP5.41
Rot. Bonds5

About [(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate

[(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate (PubChem CID 5334924) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is [(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate.

Molecular Properties

Compound Name[(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate
PubChem CID5334924
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name[(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate
SMILESCCn1c(/C=C(/OC(=O)c2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H20N2O2/c1-2-26-21-16-10-9-15-20(21)25-23(26)17-22(18-11-5-3-6-12-18)28-24(27)19-13-7-4-8-14-19/h3-17H,2H2,1H3/b22-17+
InChIKeyXFMVJRHOAZGVGY-OQKWZONESA-N
XLogP5.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-[1-ethyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]-1-phenylethenyl] benzoate
CID 18532435
[1-(4-methylphenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)ethenyl] 4-methylbenzoate
CID 2850028
[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate
CID 3124408
[2-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate
CID 4655806
[(Z)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate
CID 6509269
[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate
CID 2853751
(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558
[2-[1-[2-(4-bromophenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate
CID 3124411
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
[1-(2-chlorophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)ethenyl] 2-chlorobenzoate
CID 2853691
(NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine
CID 136636081
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate?
The IUPAC name of [(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate (CID 5334924) is [(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate.
What is the SMILES notation for [(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate?
The canonical SMILES for [(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate is CCn1c(/C=C(/OC(=O)c2ccccc2)c2ccccc2)nc2ccccc21.
What is the InChIKey of [(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate?
The InChIKey is XFMVJRHOAZGVGY-OQKWZONESA-N. The full InChI is InChI=1S/C24H20N2O2/c1-2-26-21-16-10-9-15-20(21)25-23(26)17-22(18-11-5-3-6-12-18)28-24(27)19-13-7-4-8-14-19/h3-17H,2H2,1H3/b22-17+.
What are the key properties of [(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate?
[(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate has a molecular weight of 368.44 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate is sourced from PubChem (CID 5334924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).