ethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate

C20H23N3O3 — CID 73333807

IUPACethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)n2CCO
InChIInChI=1S/C20H23N3O3/c1-4-26-20(25)15-7-10-18-17(13-15)21-19(23(18)11-12-24)14-5-8-16(9-6-14)22(2)3/h5-10,13,24H,4,11-12H2,1-3H3
InChIKeyDGJWFIOKCCVGQF-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.94
Rot. Bonds6

About ethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate

ethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate (PubChem CID 73333807) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate
PubChem CID73333807
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Nameethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)n2CCO
InChIInChI=1S/C20H23N3O3/c1-4-26-20(25)15-7-10-18-17(13-15)21-19(23(18)11-12-24)14-5-8-16(9-6-14)22(2)3/h5-10,13,24H,4,11-12H2,1-3H3
InChIKeyDGJWFIOKCCVGQF-UHFFFAOYSA-N
XLogP2.94
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze ethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate?
The IUPAC name of ethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate (CID 73333807) is ethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate?
The canonical SMILES for ethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)n2CCO.
What is the InChIKey of ethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate?
The InChIKey is DGJWFIOKCCVGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-26-20(25)15-7-10-18-17(13-15)21-19(23(18)11-12-24)14-5-8-16(9-6-14)22(2)3/h5-10,13,24H,4,11-12H2,1-3H3.
What are the key properties of ethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate?
ethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 73333807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).