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

C14H11N3O3 — CID 115541256

IUPAC2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1[nH]c(=O)n2Cc1ccccn1
InChIInChI=1S/C14H11N3O3/c18-13(19)10-5-3-6-11-12(10)16-14(20)17(11)8-9-4-1-2-7-15-9/h1-7H,8H2,(H,16,20)(H,18,19)
InChIKeyMONSWRLCMBSYCU-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.47
Rot. Bonds3

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

2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid (PubChem CID 115541256) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid
PubChem CID115541256
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1[nH]c(=O)n2Cc1ccccn1
InChIInChI=1S/C14H11N3O3/c18-13(19)10-5-3-6-11-12(10)16-14(20)17(11)8-9-4-1-2-7-15-9/h1-7H,8H2,(H,16,20)(H,18,19)
InChIKeyMONSWRLCMBSYCU-UHFFFAOYSA-N
XLogP1.47
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541216
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541484
2-oxo-1-(2-pyridin-4-ylethyl)-3H-benzimidazole-4-carboxylic acid
CID 115541342
1-(2,2-dicyclopropylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541544
5-hydroxy-9-(pyridin-2-ylmethyl)carbazole-4-carboxamide
CID 22740539
1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541346
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541462
1-[(4-methylcyclohexyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541480
2-oxo-1-pentan-3-yl-3H-benzimidazole-4-carboxylic acid
CID 113331878
1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 107413611
5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
CID 82212882
1-(1,4-dioxan-2-ylmethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541349

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid (CID 115541256) is 2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2c1[nH]c(=O)n2Cc1ccccn1.
What is the InChIKey of 2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid?
The InChIKey is MONSWRLCMBSYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-13(19)10-5-3-6-11-12(10)16-14(20)17(11)8-9-4-1-2-7-15-9/h1-7H,8H2,(H,16,20)(H,18,19).
What are the key properties of 2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid?
2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115541256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).