4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole

C11H9F2N3O3 — CID 66859203

IUPAC4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole
SMILESCOc1cc([N+](=O)[O-])ccc1-n1cnc(C(F)F)c1
InChIInChI=1S/C11H9F2N3O3/c1-19-10-4-7(16(17)18)2-3-9(10)15-5-8(11(12)13)14-6-15/h2-6,11H,1H3
InChIKeyAPKYGLAQFSXHQK-UHFFFAOYSA-N
MW269.21 g/mol
LogP2.73
Rot. Bonds4

About 4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole

4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole (PubChem CID 66859203) has the molecular formula C11H9F2N3O3 and a molecular weight of 269.21 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole
PubChem CID66859203
Molecular FormulaC11H9F2N3O3
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Name4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole
SMILESCOc1cc([N+](=O)[O-])ccc1-n1cnc(C(F)F)c1
InChIInChI=1S/C11H9F2N3O3/c1-19-10-4-7(16(17)18)2-3-9(10)15-5-8(11(12)13)14-6-15/h2-6,11H,1H3
InChIKeyAPKYGLAQFSXHQK-UHFFFAOYSA-N
XLogP2.73
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methoxy-4-nitrophenyl)imidazole
CID 22459644
4-(1-chloroethyl)-1-(2-methoxy-4-nitrophenyl)triazole
CID 81444327
(3S,4S)-1-(2-methoxy-4-nitrophenyl)pyrrolidine-3,4-diol
CID 58386081
1-[2-(difluoromethoxy)-4-nitrophenyl]-3-methyl-1,2,4-triazole
CID 118418725
(3S,5S)-1-(2-methoxy-4-nitrophenyl)-3,5-dimethylpiperidine
CID 99966472
1-(2-methoxy-4-nitrophenyl)-3,5-dimethylpiperidine
CID 91679307
2-methoxy-4-nitrobenzaldehyde
CID 2759599
3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione
CID 107842288
2-methoxy-4-nitrobenzenethiol
CID 22148741
methyl (2S)-2-amino-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]propanoate
CID 57176735
2-(2-methoxy-5-nitrophenoxy)acetonitrile
CID 8946731
2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]guanidine;bis(nitric acid)
CID 86632605

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole?
The IUPAC name of 4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole (CID 66859203) is 4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole.
What is the SMILES notation for 4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole?
The canonical SMILES for 4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole is COc1cc([N+](=O)[O-])ccc1-n1cnc(C(F)F)c1.
What is the InChIKey of 4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole?
The InChIKey is APKYGLAQFSXHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O3/c1-19-10-4-7(16(17)18)2-3-9(10)15-5-8(11(12)13)14-6-15/h2-6,11H,1H3.
What are the key properties of 4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole?
4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole has a molecular weight of 269.21 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole is sourced from PubChem (CID 66859203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).