3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid

C10H11N3O3 — CID 83015711

IUPAC3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid
SMILESCN(C)n1c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C10H11N3O3/c1-12(2)13-8-5-6(9(14)15)3-4-7(8)11-10(13)16/h3-5H,1-2H3,(H,11,16)(H,14,15)
InChIKeyKYTYQRKVCBEJMN-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.23
Rot. Bonds2

About 3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid

3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid (PubChem CID 83015711) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid
PubChem CID83015711
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid
SMILESCN(C)n1c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C10H11N3O3/c1-12(2)13-8-5-6(9(14)15)3-4-7(8)11-10(13)16/h3-5H,1-2H3,(H,11,16)(H,14,15)
InChIKeyKYTYQRKVCBEJMN-UHFFFAOYSA-N
XLogP0.23
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid (CID 83015711) is 3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid is CN(C)n1c(=O)[nH]c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid?
The InChIKey is KYTYQRKVCBEJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-12(2)13-8-5-6(9(14)15)3-4-7(8)11-10(13)16/h3-5H,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid?
3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 83015711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).