ethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate

C21H22N2O2 — CID 3421062

IUPACethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C=Cc2ccccc2)nc2cc(C)c(C)cc21
InChIInChI=1S/C21H22N2O2/c1-4-25-21(24)14-23-19-13-16(3)15(2)12-18(19)22-20(23)11-10-17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3
InChIKeyPAFYMXFWSMYBPD-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.39
Rot. Bonds5

About ethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate

ethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate (PubChem CID 3421062) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate
PubChem CID3421062
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Nameethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C=Cc2ccccc2)nc2cc(C)c(C)cc21
InChIInChI=1S/C21H22N2O2/c1-4-25-21(24)14-23-19-13-16(3)15(2)12-18(19)22-20(23)11-10-17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3
InChIKeyPAFYMXFWSMYBPD-UHFFFAOYSA-N
XLogP4.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate
CID 70023589
1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole
CID 6183360
ethyl 2-[5,6-dimethyl-2-(3-phenylprop-2-enoylimino)-1,3-benzothiazol-3-yl]acetate
CID 74746923
2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol
CID 82149384
2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide
CID 11833693
N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
CID 17031751
N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 5084870
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 3282513
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
CID 16999755

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate (CID 3421062) is ethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate is CCOC(=O)Cn1c(C=Cc2ccccc2)nc2cc(C)c(C)cc21.
What is the InChIKey of ethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate?
The InChIKey is PAFYMXFWSMYBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-4-25-21(24)14-23-19-13-16(3)15(2)12-18(19)22-20(23)11-10-17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3.
What are the key properties of ethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate?
ethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate has a molecular weight of 334.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 3421062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).