2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one

C13H11N3O — CID 117128159

IUPAC2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one
SMILESNc1cccc(-c2cn3c(=O)cccc3[nH]2)c1
InChIInChI=1S/C13H11N3O/c14-10-4-1-3-9(7-10)11-8-16-12(15-11)5-2-6-13(16)17/h1-8,15H,14H2
InChIKeyOPUTWGGZZFCYMY-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.88
Rot. Bonds1

About 2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one

2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 117128159) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID117128159
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one
SMILESNc1cccc(-c2cn3c(=O)cccc3[nH]2)c1
InChIInChI=1S/C13H11N3O/c14-10-4-1-3-9(7-10)11-8-16-12(15-11)5-2-6-13(16)17/h1-8,15H,14H2
InChIKeyOPUTWGGZZFCYMY-UHFFFAOYSA-N
XLogP1.88
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-1H-imidazo[1,2-a]pyridin-5-one
CID 117128163
2-(3-chlorophenyl)-1H-imidazo[1,2-a]pyridin-5-one
CID 117133007
3-(3-aminophenyl)aniline;sulfane
CID 175159845
2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one
CID 117132839
benzene-1,3-diamine;zinc
CID 175999138
5-(3-aminophenyl)-1H-pyrazin-2-one
CID 67016956
2-[(3-aminophenyl)methyl]-1H-pyrazol-5-one
CID 89158594
2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one
CID 117132815
3-(5-chloro-1H-indol-2-yl)aniline
CID 39347249
benzene-1,3-diamine
CID 7935
1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one
CID 60875846
3-(2-butyl-1H-imidazol-5-yl)aniline
CID 173009112

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one (CID 117128159) is 2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one is Nc1cccc(-c2cn3c(=O)cccc3[nH]2)c1.
What is the InChIKey of 2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is OPUTWGGZZFCYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-10-4-1-3-9(7-10)11-8-16-12(15-11)5-2-6-13(16)17/h1-8,15H,14H2.
What are the key properties of 2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one?
2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 225.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 117128159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).