[1-[(2,4-dinitrophenyl)methyl]imidazol-4-yl]methanol

C11H10N4O5 — CID 106717250

IUPAC[1-[(2,4-dinitrophenyl)methyl]imidazol-4-yl]methanol
SMILESO=[N+]([O-])c1ccc(Cn2cnc(CO)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H10N4O5/c16-6-9-5-13(7-12-9)4-8-1-2-10(14(17)18)3-11(8)15(19)20/h1-3,5,7,16H,4,6H2
InChIKeyMAGSXVIXMNSNBC-UHFFFAOYSA-N
MW278.22 g/mol
LogP1.24
Rot. Bonds5

About [1-[(2,4-dinitrophenyl)methyl]imidazol-4-yl]methanol

[1-[(2,4-dinitrophenyl)methyl]imidazol-4-yl]methanol (PubChem CID 106717250) has the molecular formula C11H10N4O5 and a molecular weight of 278.22 g/mol. Its IUPAC name is [1-[(2,4-dinitrophenyl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2,4-dinitrophenyl)methyl]imidazol-4-yl]methanol
PubChem CID106717250
Molecular FormulaC11H10N4O5
Molecular Weight278.22 g/mol
Exact Mass278.07
IUPAC Name[1-[(2,4-dinitrophenyl)methyl]imidazol-4-yl]methanol
SMILESO=[N+]([O-])c1ccc(Cn2cnc(CO)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H10N4O5/c16-6-9-5-13(7-12-9)4-8-1-2-10(14(17)18)3-11(8)15(19)20/h1-3,5,7,16H,4,6H2
InChIKeyMAGSXVIXMNSNBC-UHFFFAOYSA-N
XLogP1.24
TPSA124.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-(chloromethyl)-1-[(2,4-dinitrophenyl)methyl]imidazole
CID 106720668
[1-[(4-bromo-2-nitrophenyl)methyl]imidazol-4-yl]methanamine
CID 106718161
[2-[(2,4-dinitrophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 66223519
[1-[(2-nitrophenyl)methyl]imidazol-4-yl]methanamine
CID 106718040
1-[(2,4-dinitrophenyl)methyl]-4,5-dimethylimidazole
CID 116621762
N-[[1-[(2-chloro-4-nitrophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719409
N-[[1-[(4-chloro-2-nitrophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719100
methyl (2S)-2-amino-3-[1-[(2-nitrophenyl)methyl]imidazol-4-yl]propanoate
CID 11781669
1-[1-[(2-nitrophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721091
4-[[4-(hydroxymethyl)imidazol-1-yl]methyl]-3-methylbenzonitrile
CID 106717623
5-(chloromethyl)-1-[(2,4-dinitrophenyl)methyl]-1,2,4-triazole
CID 66223733
5-(2,4-dinitrophenyl)pentan-1-ol
CID 86720802

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dinitrophenyl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [1-[(2,4-dinitrophenyl)methyl]imidazol-4-yl]methanol (CID 106717250) is [1-[(2,4-dinitrophenyl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [1-[(2,4-dinitrophenyl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [1-[(2,4-dinitrophenyl)methyl]imidazol-4-yl]methanol is O=[N+]([O-])c1ccc(Cn2cnc(CO)c2)c([N+](=O)[O-])c1.
What is the InChIKey of [1-[(2,4-dinitrophenyl)methyl]imidazol-4-yl]methanol?
The InChIKey is MAGSXVIXMNSNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5/c16-6-9-5-13(7-12-9)4-8-1-2-10(14(17)18)3-11(8)15(19)20/h1-3,5,7,16H,4,6H2.
What are the key properties of [1-[(2,4-dinitrophenyl)methyl]imidazol-4-yl]methanol?
[1-[(2,4-dinitrophenyl)methyl]imidazol-4-yl]methanol has a molecular weight of 278.22 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dinitrophenyl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 106717250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).