4-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-nitrobenzamide

C15H18N4O4 — CID 75521552

IUPAC4-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-nitrobenzamide
SMILESCC(C)Cn1ccnc1CNC(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H18N4O4/c1-10(2)9-18-6-5-16-14(18)8-17-15(21)11-3-4-13(20)12(7-11)19(22)23/h3-7,10,20H,8-9H2,1-2H3,(H,17,21)
InChIKeyJMPOWKCNDGKPLP-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.08
Rot. Bonds6

About 4-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-nitrobenzamide

4-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-nitrobenzamide (PubChem CID 75521552) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-nitrobenzamide
PubChem CID75521552
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name4-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-nitrobenzamide
SMILESCC(C)Cn1ccnc1CNC(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H18N4O4/c1-10(2)9-18-6-5-16-14(18)8-17-15(21)11-3-4-13(20)12(7-11)19(22)23/h3-7,10,20H,8-9H2,1-2H3,(H,17,21)
InChIKeyJMPOWKCNDGKPLP-UHFFFAOYSA-N
XLogP2.08
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
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

4-hydroxy-3-nitro-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 75452335
3-hydroxy-N-(3-methylbutyl)-4-nitrobenzamide
CID 27556731
4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 91647846
4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide
CID 99717489
4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitrobenzamide
CID 61052024
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitrobenzamide
CID 62186633
1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 95965670
4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride
CID 120565762
4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide
CID 119892667
4-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitrobenzamide
CID 61052023
trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium
CID 57316858
3-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyldisulfanyl]propanoic acid
CID 166425203

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-nitrobenzamide?
The IUPAC name of 4-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-nitrobenzamide (CID 75521552) is 4-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-nitrobenzamide.
What is the SMILES notation for 4-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-nitrobenzamide?
The canonical SMILES for 4-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-nitrobenzamide is CC(C)Cn1ccnc1CNC(=O)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-nitrobenzamide?
The InChIKey is JMPOWKCNDGKPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-10(2)9-18-6-5-16-14(18)8-17-15(21)11-3-4-13(20)12(7-11)19(22)23/h3-7,10,20H,8-9H2,1-2H3,(H,17,21).
What are the key properties of 4-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-nitrobenzamide?
4-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-nitrobenzamide has a molecular weight of 318.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-nitrobenzamide is sourced from PubChem (CID 75521552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).