1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate

C20H17N2O5- — CID 21293714

IUPAC1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate
SMILESCOc1ccc(/C=C/c2nc3c(C(=O)[O-])cccc3n2C(C)=O)cc1OC
InChIInChI=1S/C20H18N2O5/c1-12(23)22-15-6-4-5-14(20(24)25)19(15)21-18(22)10-8-13-7-9-16(26-2)17(11-13)27-3/h4-11H,1-3H3,(H,24,25)/p-1/b10-8+
InChIKeyZTYAOFVRLBHRFY-CSKARUKUSA-M
MW365.37 g/mol
LogP2.25
Rot. Bonds5

About 1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate

1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate (PubChem CID 21293714) has the molecular formula C20H17N2O5- and a molecular weight of 365.37 g/mol. Its IUPAC name is 1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate.

Molecular Properties

Compound Name1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate
PubChem CID21293714
Molecular FormulaC20H17N2O5-
Molecular Weight365.37 g/mol
Exact Mass365.11
IUPAC Name1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate
SMILESCOc1ccc(/C=C/c2nc3c(C(=O)[O-])cccc3n2C(C)=O)cc1OC
InChIInChI=1S/C20H18N2O5/c1-12(23)22-15-6-4-5-14(20(24)25)19(15)21-18(22)10-8-13-7-9-16(26-2)17(11-13)27-3/h4-11H,1-3H3,(H,24,25)/p-1/b10-8+
InChIKeyZTYAOFVRLBHRFY-CSKARUKUSA-M
XLogP2.25
TPSA93.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate 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

2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate;hydrobromide
CID 21293673
2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-1H-benzimidazole-4-carboxylate
CID 21293611
2-[2-(3,4-dimethoxyphenyl)ethenyl]benzoic acid
CID 54188462
2-[(E)-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1H-benzimidazole-4-carboxylate;dihydrochloride
CID 21293633
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid;methanesulfonic acid
CID 173403529
2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate
CID 3584793
ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate
CID 21190809
3-(3,4-dimethoxyphenyl)-1-(2-methylsulfanylbenzimidazol-1-yl)prop-2-en-1-one
CID 3591138
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-[3-(tetrazol-1-yl)phenyl]prop-2-en-1-one
CID 8814165
2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 8020196
(E)-1-(2-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 8833056
3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-fluoro-2-hydroxybenzamide
CID 178068620

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate?
The IUPAC name of 1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate (CID 21293714) is 1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate.
What is the SMILES notation for 1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate?
The canonical SMILES for 1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate is COc1ccc(/C=C/c2nc3c(C(=O)[O-])cccc3n2C(C)=O)cc1OC.
What is the InChIKey of 1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate?
The InChIKey is ZTYAOFVRLBHRFY-CSKARUKUSA-M. The full InChI is InChI=1S/C20H18N2O5/c1-12(23)22-15-6-4-5-14(20(24)25)19(15)21-18(22)10-8-13-7-9-16(26-2)17(11-13)27-3/h4-11H,1-3H3,(H,24,25)/p-1/b10-8+.
What are the key properties of 1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate?
1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate has a molecular weight of 365.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzimidazole-4-carboxylate is sourced from PubChem (CID 21293714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).