ethyl 1-(4-hydroxyphenyl)benzimidazole-5-carboxylate

C16H14N2O3 — CID 141486370

IUPACethyl 1-(4-hydroxyphenyl)benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)ncn2-c1ccc(O)cc1
InChIInChI=1S/C16H14N2O3/c1-2-21-16(20)11-3-8-15-14(9-11)17-10-18(15)12-4-6-13(19)7-5-12/h3-10,19H,2H2,1H3
InChIKeyHGHSPJLKFNSUBZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.91
Rot. Bonds3

About ethyl 1-(4-hydroxyphenyl)benzimidazole-5-carboxylate

ethyl 1-(4-hydroxyphenyl)benzimidazole-5-carboxylate (PubChem CID 141486370) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 1-(4-hydroxyphenyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-hydroxyphenyl)benzimidazole-5-carboxylate
PubChem CID141486370
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Nameethyl 1-(4-hydroxyphenyl)benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)ncn2-c1ccc(O)cc1
InChIInChI=1S/C16H14N2O3/c1-2-21-16(20)11-3-8-15-14(9-11)17-10-18(15)12-4-6-13(19)7-5-12/h3-10,19H,2H2,1H3
InChIKeyHGHSPJLKFNSUBZ-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(4-hydroxyphenyl)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 1-(4-hydroxyphenyl)benzimidazole-5-carboxylate?
The IUPAC name of ethyl 1-(4-hydroxyphenyl)benzimidazole-5-carboxylate (CID 141486370) is ethyl 1-(4-hydroxyphenyl)benzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 1-(4-hydroxyphenyl)benzimidazole-5-carboxylate?
The canonical SMILES for ethyl 1-(4-hydroxyphenyl)benzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)ncn2-c1ccc(O)cc1.
What is the InChIKey of ethyl 1-(4-hydroxyphenyl)benzimidazole-5-carboxylate?
The InChIKey is HGHSPJLKFNSUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-21-16(20)11-3-8-15-14(9-11)17-10-18(15)12-4-6-13(19)7-5-12/h3-10,19H,2H2,1H3.
What are the key properties of ethyl 1-(4-hydroxyphenyl)benzimidazole-5-carboxylate?
ethyl 1-(4-hydroxyphenyl)benzimidazole-5-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-hydroxyphenyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 141486370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).