4-acetamido-3-[2-amino-4-(1-benzofuran-3-yl)imidazol-1-yl]benzoic acid

C20H16N4O4 — CID 10809515

IUPAC4-acetamido-3-[2-amino-4-(1-benzofuran-3-yl)imidazol-1-yl]benzoic acid
SMILESCC(=O)Nc1ccc(C(=O)O)cc1-n1cc(-c2coc3ccccc23)nc1N
InChIInChI=1S/C20H16N4O4/c1-11(25)22-15-7-6-12(19(26)27)8-17(15)24-9-16(23-20(24)21)14-10-28-18-5-3-2-4-13(14)18/h2-10H,1H3,(H2,21,23)(H,22,25)(H,26,27)
InChIKeyDTYBYODUDBDRGL-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.52
Rot. Bonds4

About 4-acetamido-3-[2-amino-4-(1-benzofuran-3-yl)imidazol-1-yl]benzoic acid

4-acetamido-3-[2-amino-4-(1-benzofuran-3-yl)imidazol-1-yl]benzoic acid (PubChem CID 10809515) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 4-acetamido-3-[2-amino-4-(1-benzofuran-3-yl)imidazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-acetamido-3-[2-amino-4-(1-benzofuran-3-yl)imidazol-1-yl]benzoic acid
PubChem CID10809515
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name4-acetamido-3-[2-amino-4-(1-benzofuran-3-yl)imidazol-1-yl]benzoic acid
SMILESCC(=O)Nc1ccc(C(=O)O)cc1-n1cc(-c2coc3ccccc23)nc1N
InChIInChI=1S/C20H16N4O4/c1-11(25)22-15-7-6-12(19(26)27)8-17(15)24-9-16(23-20(24)21)14-10-28-18-5-3-2-4-13(14)18/h2-10H,1H3,(H2,21,23)(H,22,25)(H,26,27)
InChIKeyDTYBYODUDBDRGL-UHFFFAOYSA-N
XLogP3.52
TPSA123.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-[2-amino-4-(1-benzofuran-3-yl)imidazol-1-yl]benzoic acid?
The IUPAC name of 4-acetamido-3-[2-amino-4-(1-benzofuran-3-yl)imidazol-1-yl]benzoic acid (CID 10809515) is 4-acetamido-3-[2-amino-4-(1-benzofuran-3-yl)imidazol-1-yl]benzoic acid.
What is the SMILES notation for 4-acetamido-3-[2-amino-4-(1-benzofuran-3-yl)imidazol-1-yl]benzoic acid?
The canonical SMILES for 4-acetamido-3-[2-amino-4-(1-benzofuran-3-yl)imidazol-1-yl]benzoic acid is CC(=O)Nc1ccc(C(=O)O)cc1-n1cc(-c2coc3ccccc23)nc1N.
What is the InChIKey of 4-acetamido-3-[2-amino-4-(1-benzofuran-3-yl)imidazol-1-yl]benzoic acid?
The InChIKey is DTYBYODUDBDRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-11(25)22-15-7-6-12(19(26)27)8-17(15)24-9-16(23-20(24)21)14-10-28-18-5-3-2-4-13(14)18/h2-10H,1H3,(H2,21,23)(H,22,25)(H,26,27).
What are the key properties of 4-acetamido-3-[2-amino-4-(1-benzofuran-3-yl)imidazol-1-yl]benzoic acid?
4-acetamido-3-[2-amino-4-(1-benzofuran-3-yl)imidazol-1-yl]benzoic acid has a molecular weight of 376.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-[2-amino-4-(1-benzofuran-3-yl)imidazol-1-yl]benzoic acid is sourced from PubChem (CID 10809515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).