4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one

C13H10IN5O — CID 136979919

IUPAC4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one
SMILESNc1cccc(-c2nccn2-c2nc[nH]c(=O)c2I)c1
InChIInChI=1S/C13H10IN5O/c14-10-12(17-7-18-13(10)20)19-5-4-16-11(19)8-2-1-3-9(15)6-8/h1-7H,15H2,(H,17,18,20)
InChIKeyLARSFPOAXAKEDL-UHFFFAOYSA-N
MW379.16 g/mol
LogP1.81
Rot. Bonds2

About 4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one

4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136979919) has the molecular formula C13H10IN5O and a molecular weight of 379.16 g/mol. Its IUPAC name is 4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one
PubChem CID136979919
Molecular FormulaC13H10IN5O
Molecular Weight379.16 g/mol
Exact Mass378.99
IUPAC Name4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one
SMILESNc1cccc(-c2nccn2-c2nc[nH]c(=O)c2I)c1
InChIInChI=1S/C13H10IN5O/c14-10-12(17-7-18-13(10)20)19-5-4-16-11(19)8-2-1-3-9(15)6-8/h1-7H,15H2,(H,17,18,20)
InChIKeyLARSFPOAXAKEDL-UHFFFAOYSA-N
XLogP1.81
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.16
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide
CID 62685335
3-[1-(3,6-dimethylpyrazin-2-yl)imidazol-2-yl]aniline
CID 61176241
3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline
CID 105370266
3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline
CID 61176601
4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 136979916
3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline
CID 61176606
4-(3-amino-5-bromo-1,2,4-triazol-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136827942
6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile
CID 64589204
3-[1-[(4-iodophenyl)methyl]imidazol-2-yl]aniline
CID 65477799
6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 155340602
1-phenyl-2-(3-phenylphenyl)imidazole
CID 157490154
1-phenyl-2-[3-(1-phenylimidazol-2-yl)phenyl]imidazole
CID 58965505

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one (CID 136979919) is 4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one is Nc1cccc(-c2nccn2-c2nc[nH]c(=O)c2I)c1.
What is the InChIKey of 4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is LARSFPOAXAKEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN5O/c14-10-12(17-7-18-13(10)20)19-5-4-16-11(19)8-2-1-3-9(15)6-8/h1-7H,15H2,(H,17,18,20).
What are the key properties of 4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one?
4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 379.16 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136979919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).