3-carbamoyl-2,6-dihydro-1H-pyrrolo[3,2-e]benzimidazole-7-carboxylic acid

C11H10N4O3 — CID 18550970

IUPAC3-carbamoyl-2,6-dihydro-1H-pyrrolo[3,2-e]benzimidazole-7-carboxylic acid
SMILESNC(=O)N1CNc2c1ccc1[nH]c(C(=O)O)cc21
InChIInChI=1S/C11H10N4O3/c12-11(18)15-4-13-9-5-3-7(10(16)17)14-6(5)1-2-8(9)15/h1-3,13-14H,4H2,(H2,12,18)(H,16,17)
InChIKeyVIUVUZYIKYBSKI-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.13
Rot. Bonds1

About 3-carbamoyl-2,6-dihydro-1H-pyrrolo[3,2-e]benzimidazole-7-carboxylic acid

3-carbamoyl-2,6-dihydro-1H-pyrrolo[3,2-e]benzimidazole-7-carboxylic acid (PubChem CID 18550970) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-carbamoyl-2,6-dihydro-1H-pyrrolo[3,2-e]benzimidazole-7-carboxylic acid.

Molecular Properties

Compound Name3-carbamoyl-2,6-dihydro-1H-pyrrolo[3,2-e]benzimidazole-7-carboxylic acid
PubChem CID18550970
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name3-carbamoyl-2,6-dihydro-1H-pyrrolo[3,2-e]benzimidazole-7-carboxylic acid
SMILESNC(=O)N1CNc2c1ccc1[nH]c(C(=O)O)cc21
InChIInChI=1S/C11H10N4O3/c12-11(18)15-4-13-9-5-3-7(10(16)17)14-6(5)1-2-8(9)15/h1-3,13-14H,4H2,(H2,12,18)(H,16,17)
InChIKeyVIUVUZYIKYBSKI-UHFFFAOYSA-N
XLogP1.13
TPSA111.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-2,6-dihydro-1H-pyrrolo[3,2-e]benzimidazole-7-carboxylic acid?
The IUPAC name of 3-carbamoyl-2,6-dihydro-1H-pyrrolo[3,2-e]benzimidazole-7-carboxylic acid (CID 18550970) is 3-carbamoyl-2,6-dihydro-1H-pyrrolo[3,2-e]benzimidazole-7-carboxylic acid.
What is the SMILES notation for 3-carbamoyl-2,6-dihydro-1H-pyrrolo[3,2-e]benzimidazole-7-carboxylic acid?
The canonical SMILES for 3-carbamoyl-2,6-dihydro-1H-pyrrolo[3,2-e]benzimidazole-7-carboxylic acid is NC(=O)N1CNc2c1ccc1[nH]c(C(=O)O)cc21.
What is the InChIKey of 3-carbamoyl-2,6-dihydro-1H-pyrrolo[3,2-e]benzimidazole-7-carboxylic acid?
The InChIKey is VIUVUZYIKYBSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c12-11(18)15-4-13-9-5-3-7(10(16)17)14-6(5)1-2-8(9)15/h1-3,13-14H,4H2,(H2,12,18)(H,16,17).
What are the key properties of 3-carbamoyl-2,6-dihydro-1H-pyrrolo[3,2-e]benzimidazole-7-carboxylic acid?
3-carbamoyl-2,6-dihydro-1H-pyrrolo[3,2-e]benzimidazole-7-carboxylic acid has a molecular weight of 246.23 g/mol, XLogP of 1.13, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-2,6-dihydro-1H-pyrrolo[3,2-e]benzimidazole-7-carboxylic acid is sourced from PubChem (CID 18550970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).