2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid

C15H13N3O3 — CID 43524092

IUPAC2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid
SMILESCC(c1ccncc1)n1c(=O)[nH]c2cc(C(=O)O)ccc21
InChIInChI=1S/C15H13N3O3/c1-9(10-4-6-16-7-5-10)18-13-3-2-11(14(19)20)8-12(13)17-15(18)21/h2-9H,1H3,(H,17,21)(H,19,20)
InChIKeySOEALWICZUQFTG-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.03
Rot. Bonds3

About 2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid

2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 43524092) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID43524092
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid
SMILESCC(c1ccncc1)n1c(=O)[nH]c2cc(C(=O)O)ccc21
InChIInChI=1S/C15H13N3O3/c1-9(10-4-6-16-7-5-10)18-13-3-2-11(14(19)20)8-12(13)17-15(18)21/h2-9H,1H3,(H,17,21)(H,19,20)
InChIKeySOEALWICZUQFTG-UHFFFAOYSA-N
XLogP2.03
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 61474333
1-(1-ethoxy-1-oxopropan-2-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 61498727
1-(1-amino-3-methyl-1-oxobutan-2-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 106345749
2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-4-carboxylic acid
CID 115541314
1-(1-methylsulfonylpropan-2-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 64643795
2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid
CID 110491349
4-[1-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]benzoic acid
CID 66893674
6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 59594593
3-[1-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid
CID 56771852
3-(2-methylpentan-3-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784325
2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 110491359
2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 171688040

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid (CID 43524092) is 2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid is CC(c1ccncc1)n1c(=O)[nH]c2cc(C(=O)O)ccc21.
What is the InChIKey of 2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is SOEALWICZUQFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9(10-4-6-16-7-5-10)18-13-3-2-11(14(19)20)8-12(13)17-15(18)21/h2-9H,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid?
2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 43524092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).