N-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide

C11H9FN4O3 — CID 110467600

IUPACN-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(F)ccc2[N+](=O)[O-])[nH]1
InChIInChI=1S/C11H9FN4O3/c1-6-13-5-9(14-6)11(17)15-8-4-7(12)2-3-10(8)16(18)19/h2-5H,1H3,(H,13,14)(H,15,17)
InChIKeyBPWFODLDWFEFPT-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.02
Rot. Bonds3

About N-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide

N-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide (PubChem CID 110467600) has the molecular formula C11H9FN4O3 and a molecular weight of 264.22 g/mol. Its IUPAC name is N-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide
PubChem CID110467600
Molecular FormulaC11H9FN4O3
Molecular Weight264.22 g/mol
Exact Mass264.07
IUPAC NameN-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(F)ccc2[N+](=O)[O-])[nH]1
InChIInChI=1S/C11H9FN4O3/c1-6-13-5-9(14-6)11(17)15-8-4-7(12)2-3-10(8)16(18)19/h2-5H,1H3,(H,13,14)(H,15,17)
InChIKeyBPWFODLDWFEFPT-UHFFFAOYSA-N
XLogP2.02
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.02
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'}

Analyze N-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide
CID 110461612
N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide
CID 78914527
N-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide
CID 86768472
1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea
CID 116656949
N-(2,3-dimethyl-4-nitrophenyl)-4-fluorobenzamide
CID 2938533
ethyl 3-(5-fluoro-2-nitroanilino)-3-oxopropanoate
CID 58328051
N-(5-fluoro-2-nitrophenyl)-3-hydroxybenzamide
CID 110462704
2-amino-4-fluoro-N-(5-methyl-2-nitrophenyl)benzamide
CID 115912695
2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide
CID 106994147
3-bromo-4-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952918
5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 51889946
5-fluoro-N-(2-methyl-3-pyridinyl)-2-nitrobenzamide
CID 79041873

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide (CID 110467600) is N-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)Nc2cc(F)ccc2[N+](=O)[O-])[nH]1.
What is the InChIKey of N-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide?
The InChIKey is BPWFODLDWFEFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O3/c1-6-13-5-9(14-6)11(17)15-8-4-7(12)2-3-10(8)16(18)19/h2-5H,1H3,(H,13,14)(H,15,17).
What are the key properties of N-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide?
N-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide has a molecular weight of 264.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110467600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).