1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid

C13H16N4O4 — CID 83114218

IUPAC1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESCN(C)C(=O)NCCn1c(=O)[nH]c2cc(C(=O)O)ccc21
InChIInChI=1S/C13H16N4O4/c1-16(2)12(20)14-5-6-17-10-4-3-8(11(18)19)7-9(10)15-13(17)21/h3-4,7H,5-6H2,1-2H3,(H,14,20)(H,15,21)(H,18,19)
InChIKeyGSYVGWHGSJOFAZ-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.30
Rot. Bonds4

About 1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid

1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid (PubChem CID 83114218) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
PubChem CID83114218
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESCN(C)C(=O)NCCn1c(=O)[nH]c2cc(C(=O)O)ccc21
InChIInChI=1S/C13H16N4O4/c1-16(2)12(20)14-5-6-17-10-4-3-8(11(18)19)7-9(10)15-13(17)21/h3-4,7H,5-6H2,1-2H3,(H,14,20)(H,15,21)(H,18,19)
InChIKeyGSYVGWHGSJOFAZ-UHFFFAOYSA-N
XLogP0.30
TPSA107.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid (CID 83114218) is 1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid is CN(C)C(=O)NCCn1c(=O)[nH]c2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid?
The InChIKey is GSYVGWHGSJOFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-16(2)12(20)14-5-6-17-10-4-3-8(11(18)19)7-9(10)15-13(17)21/h3-4,7H,5-6H2,1-2H3,(H,14,20)(H,15,21)(H,18,19).
What are the key properties of 1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid?
1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid has a molecular weight of 292.30 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 83114218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).