2-amino-4-[(4-nitrophenyl)methyl]-1,4-dihydroimidazol-5-one

C10H10N4O3 — CID 11128220

IUPAC2-amino-4-[(4-nitrophenyl)methyl]-1,4-dihydroimidazol-5-one
SMILESNC1=NC(Cc2ccc([N+](=O)[O-])cc2)C(=O)N1
InChIInChI=1S/C10H10N4O3/c11-10-12-8(9(15)13-10)5-6-1-3-7(4-2-6)14(16)17/h1-4,8H,5H2,(H3,11,12,13,15)
InChIKeyRKDCGFLLXXXFDL-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.05
Rot. Bonds3

About 2-amino-4-[(4-nitrophenyl)methyl]-1,4-dihydroimidazol-5-one

2-amino-4-[(4-nitrophenyl)methyl]-1,4-dihydroimidazol-5-one (PubChem CID 11128220) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-amino-4-[(4-nitrophenyl)methyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-[(4-nitrophenyl)methyl]-1,4-dihydroimidazol-5-one
PubChem CID11128220
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name2-amino-4-[(4-nitrophenyl)methyl]-1,4-dihydroimidazol-5-one
SMILESNC1=NC(Cc2ccc([N+](=O)[O-])cc2)C(=O)N1
InChIInChI=1S/C10H10N4O3/c11-10-12-8(9(15)13-10)5-6-1-3-7(4-2-6)14(16)17/h1-4,8H,5H2,(H3,11,12,13,15)
InChIKeyRKDCGFLLXXXFDL-UHFFFAOYSA-N
XLogP-0.05
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(4-nitrophenyl)methyl]azetidine
CID 118903404
(2S)-2-[(4-nitrophenyl)methyl]aziridine
CID 89033647
5-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 12830996
1,4-bis[(4-nitrophenyl)methylsulfanylmethyl]benzene
CID 10365975
8-bromo-3-methyl-7-[(4-nitrophenyl)methyl]-4,5-dihydropurine-2,6-dione
CID 78215169
2-[(4-nitrophenyl)methyl]-1,3-dioxane-4,6-dione
CID 158661282
5-[[4-[(4-nitrophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 59994027
4-(4-nitrophenyl)pyrrolidine-2,3,5-trione
CID 117060490
6-[(4-nitrophenyl)methyl]-3,4a-dihydroimidazo[4,5-d]triazin-4-one
CID 135737408
(4R,5S)-3-methyl-7-[(4-nitrophenyl)methyl]-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 7784491
tert-butyl (5R)-5-[(4-nitrophenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 12033944
(4S,5R)-5-(chloromethyl)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one
CID 71473848

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4-nitrophenyl)methyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-[(4-nitrophenyl)methyl]-1,4-dihydroimidazol-5-one (CID 11128220) is 2-amino-4-[(4-nitrophenyl)methyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-[(4-nitrophenyl)methyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-[(4-nitrophenyl)methyl]-1,4-dihydroimidazol-5-one is NC1=NC(Cc2ccc([N+](=O)[O-])cc2)C(=O)N1.
What is the InChIKey of 2-amino-4-[(4-nitrophenyl)methyl]-1,4-dihydroimidazol-5-one?
The InChIKey is RKDCGFLLXXXFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c11-10-12-8(9(15)13-10)5-6-1-3-7(4-2-6)14(16)17/h1-4,8H,5H2,(H3,11,12,13,15).
What are the key properties of 2-amino-4-[(4-nitrophenyl)methyl]-1,4-dihydroimidazol-5-one?
2-amino-4-[(4-nitrophenyl)methyl]-1,4-dihydroimidazol-5-one has a molecular weight of 234.22 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4-nitrophenyl)methyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 11128220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).