1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid

C10H10N2O3 — CID 652224

IUPAC1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid
SMILESCn1c(=O)n(C)c2cc(C(=O)O)ccc21
InChIInChI=1S/C10H10N2O3/c1-11-7-4-3-6(9(13)14)5-8(7)12(2)10(11)15/h3-5H,1-2H3,(H,13,14)
InChIKeyYADNYMAVRMDIDZ-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.58
Rot. Bonds1

About 1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid

1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid (PubChem CID 652224) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid
PubChem CID652224
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid
SMILESCn1c(=O)n(C)c2cc(C(=O)O)ccc21
InChIInChI=1S/C10H10N2O3/c1-11-7-4-3-6(9(13)14)5-8(7)12(2)10(11)15/h3-5H,1-2H3,(H,13,14)
InChIKeyYADNYMAVRMDIDZ-UHFFFAOYSA-N
XLogP0.58
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid?
The IUPAC name of 1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid (CID 652224) is 1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid is Cn1c(=O)n(C)c2cc(C(=O)O)ccc21.
What is the InChIKey of 1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid?
The InChIKey is YADNYMAVRMDIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-11-7-4-3-6(9(13)14)5-8(7)12(2)10(11)15/h3-5H,1-2H3,(H,13,14).
What are the key properties of 1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid?
1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid is sourced from PubChem (CID 652224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).