4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one

C17H15N3O4 — CID 90969522

IUPAC4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one
SMILESCc1ccccc1-n1c(O)cn(Cc2ccc([N+](=O)[O-])cc2)c1=O
InChIInChI=1S/C17H15N3O4/c1-12-4-2-3-5-15(12)19-16(21)11-18(17(19)22)10-13-6-8-14(9-7-13)20(23)24/h2-9,11,21H,10H2,1H3
InChIKeyHEBXKTIRBZKEJB-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.61
Rot. Bonds4

About 4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one

4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one (PubChem CID 90969522) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one
PubChem CID90969522
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one
SMILESCc1ccccc1-n1c(O)cn(Cc2ccc([N+](=O)[O-])cc2)c1=O
InChIInChI=1S/C17H15N3O4/c1-12-4-2-3-5-15(12)19-16(21)11-18(17(19)22)10-13-6-8-14(9-7-13)20(23)24/h2-9,11,21H,10H2,1H3
InChIKeyHEBXKTIRBZKEJB-UHFFFAOYSA-N
XLogP2.61
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-[(2-methylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
CID 787263
1-[2-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-oxoethyl]-5-nitropyridin-2-one
CID 52644489
3-(2-methylphenyl)-7-[(4-nitrophenyl)methyl]-1-(oxolan-2-ylmethyl)purine-2,6-dione
CID 46061631
3-hydroxy-2-methyl-1-[(4-nitrophenyl)methyl]pyridine-4-thione
CID 162665662
1-[(4-nitrophenyl)methyl]pyridin-2-imine
CID 14146119
1-(2,3-dimethylphenyl)-4-[(4-nitrophenyl)methyl]piperazine
CID 791416
1-benzyl-3-methyl-2-(4-nitrophenyl)pyrrole
CID 12677227
N-(2,5-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697984
N-(2,4-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697983
1-benzyl-4-hydroxy-3-methylimidazol-2-one
CID 54295474
4-[(3-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 84570725
1-[(4-nitrophenyl)methyl]indole-3-carbaldehyde
CID 883381

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one?
The IUPAC name of 4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one (CID 90969522) is 4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one?
The canonical SMILES for 4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one is Cc1ccccc1-n1c(O)cn(Cc2ccc([N+](=O)[O-])cc2)c1=O.
What is the InChIKey of 4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one?
The InChIKey is HEBXKTIRBZKEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-12-4-2-3-5-15(12)19-16(21)11-18(17(19)22)10-13-6-8-14(9-7-13)20(23)24/h2-9,11,21H,10H2,1H3.
What are the key properties of 4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one?
4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one has a molecular weight of 325.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one is sourced from PubChem (CID 90969522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).