N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide

C11H10N4O3 — CID 65461031

IUPACN-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C11H10N4O3/c1-7-2-3-9(15(17)18)8(6-7)10(16)14-11-12-4-5-13-11/h2-6H,1H3,(H2,12,13,14,16)
InChIKeyHZYNDBXSXRGYGE-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.88
Rot. Bonds3

About N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide

N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide (PubChem CID 65461031) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide
PubChem CID65461031
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC NameN-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C11H10N4O3/c1-7-2-3-9(15(17)18)8(6-7)10(16)14-11-12-4-5-13-11/h2-6H,1H3,(H2,12,13,14,16)
InChIKeyHZYNDBXSXRGYGE-UHFFFAOYSA-N
XLogP1.88
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide
CID 63563942
N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-2-nitrobenzamide
CID 115668378
4-hydrazinyl-N-(1H-imidazol-2-yl)-2-methyl-5-nitrobenzamide
CID 114271700
N-(3-chloro-2-pyridinyl)-5-methyl-2-nitrobenzamide
CID 103943486
N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide
CID 102989237
2-(ethylamino)-N-(1H-imidazol-2-yl)-3-nitrobenzamide
CID 115936763
2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide
CID 112580702
2-chloro-N-(1H-imidazol-2-yl)-4-nitrobenzamide
CID 60764792
N-(4-methyl-2-nitrophenyl)-1H-imidazole-2-carboxamide
CID 110466542
N-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
5-hydrazinyl-N-(1H-imidazol-2-yl)-2-nitropyridine-4-carboxamide
CID 114195920
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide?
The IUPAC name of N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide (CID 65461031) is N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide is Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc[nH]2)c1.
What is the InChIKey of N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide?
The InChIKey is HZYNDBXSXRGYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-7-2-3-9(15(17)18)8(6-7)10(16)14-11-12-4-5-13-11/h2-6H,1H3,(H2,12,13,14,16).
What are the key properties of N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide?
N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide has a molecular weight of 246.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide is sourced from PubChem (CID 65461031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).