2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid

C13H11N3O3 — CID 82299815

IUPAC2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1cnc(-c2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C13H11N3O3/c17-12-4-9-3-8(1-2-10(9)15-12)11-5-16(7-14-11)6-13(18)19/h1-3,5,7H,4,6H2,(H,15,17)(H,18,19)
InChIKeySOARJOYFHNLJPZ-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.13
Rot. Bonds3

About 2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid

2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid (PubChem CID 82299815) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid
PubChem CID82299815
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1cnc(-c2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C13H11N3O3/c17-12-4-9-3-8(1-2-10(9)15-12)11-5-16(7-14-11)6-13(18)19/h1-3,5,7H,4,6H2,(H,15,17)(H,18,19)
InChIKeySOARJOYFHNLJPZ-UHFFFAOYSA-N
XLogP1.13
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazol-1-yl]acetic acid
CID 82306789
5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one
CID 82473851
3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid
CID 82482165
2-[5-(2-oxo-1,3-dihydroindol-5-yl)-1,2-oxazol-3-yl]acetic acid
CID 82483292
acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
CID 162316573
5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
CID 116895355
5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one
CID 82479021
5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid
CID 82293565
5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 82481963
4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid
CID 82482166
5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
CID 9484477
5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 118033824

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid (CID 82299815) is 2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid is O=C(O)Cn1cnc(-c2ccc3c(c2)CC(=O)N3)c1.
What is the InChIKey of 2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid?
The InChIKey is SOARJOYFHNLJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-12-4-9-3-8(1-2-10(9)15-12)11-5-16(7-14-11)6-13(18)19/h1-3,5,7H,4,6H2,(H,15,17)(H,18,19).
What are the key properties of 2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid?
2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid has a molecular weight of 257.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid is sourced from PubChem (CID 82299815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).