(2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate

C22H17N3O4 — CID 23831665

IUPAC(2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
SMILESCOc1ccc(-c2nc3ccc(C(=O)OCC(=O)c4ccncc4)cc3[nH]2)cc1
InChIInChI=1S/C22H17N3O4/c1-28-17-5-2-15(3-6-17)21-24-18-7-4-16(12-19(18)25-21)22(27)29-13-20(26)14-8-10-23-11-9-14/h2-12H,13H2,1H3,(H,24,25)
InChIKeyRCLMYOMJDIJUMH-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.67
Rot. Bonds6

About (2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate

(2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate (PubChem CID 23831665) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is (2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
PubChem CID23831665
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name(2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
SMILESCOc1ccc(-c2nc3ccc(C(=O)OCC(=O)c4ccncc4)cc3[nH]2)cc1
InChIInChI=1S/C22H17N3O4/c1-28-17-5-2-15(3-6-17)21-24-18-7-4-16(12-19(18)25-21)22(27)29-13-20(26)14-8-10-23-11-9-14/h2-12H,13H2,1H3,(H,24,25)
InChIKeyRCLMYOMJDIJUMH-UHFFFAOYSA-N
XLogP3.67
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-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

Related Compounds

[2-oxo-2-(pyridin-4-ylamino)ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23744366
ethyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate;dihydrate
CID 134694491
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23971813
[2-(4-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23744300
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23915587
prop-2-enyl 2-pyridin-4-yl-3H-benzimidazole-5-carboxylate
CID 91673805
[2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23859790
[2-(3-nitrophenyl)-2-oxoethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23887876
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23943546
4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
CID 86674000
methyl 2-(4-aminophenyl)-3H-benzimidazole-5-carboxylate
CID 4915421

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate?
The IUPAC name of (2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate (CID 23831665) is (2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for (2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate?
The canonical SMILES for (2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate is COc1ccc(-c2nc3ccc(C(=O)OCC(=O)c4ccncc4)cc3[nH]2)cc1.
What is the InChIKey of (2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate?
The InChIKey is RCLMYOMJDIJUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-28-17-5-2-15(3-6-17)21-24-18-7-4-16(12-19(18)25-21)22(27)29-13-20(26)14-8-10-23-11-9-14/h2-12H,13H2,1H3,(H,24,25).
What are the key properties of (2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate?
(2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate has a molecular weight of 387.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 23831665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).