2-oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid

C11H10N2O3 — CID 66979052

IUPAC2-oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid
SMILESCC(C)c1ccc2c(c1C(=O)O)=NC(=O)N=2
InChIInChI=1S/C11H10N2O3/c1-5(2)6-3-4-7-9(8(6)10(14)15)13-11(16)12-7/h3-5H,1-2H3,(H,14,15)
InChIKeyZGJPGSYTTAVDSZ-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.88
Rot. Bonds2

About 2-oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid

2-oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid (PubChem CID 66979052) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid
PubChem CID66979052
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid
SMILESCC(C)c1ccc2c(c1C(=O)O)=NC(=O)N=2
InChIInChI=1S/C11H10N2O3/c1-5(2)6-3-4-7-9(8(6)10(14)15)13-11(16)12-7/h3-5H,1-2H3,(H,14,15)
InChIKeyZGJPGSYTTAVDSZ-UHFFFAOYSA-N
XLogP0.88
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid?
The IUPAC name of 2-oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid (CID 66979052) is 2-oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 2-oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid is CC(C)c1ccc2c(c1C(=O)O)=NC(=O)N=2.
What is the InChIKey of 2-oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid?
The InChIKey is ZGJPGSYTTAVDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-5(2)6-3-4-7-9(8(6)10(14)15)13-11(16)12-7/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid?
2-oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 66979052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).