N-[2-nitro-5-(trifluoromethyl)phenyl]imidazol-1-amine

C10H7F3N4O2 — CID 175234371

IUPACN-[2-nitro-5-(trifluoromethyl)phenyl]imidazol-1-amine
SMILESO=[N+]([O-])c1ccc(C(F)(F)F)cc1Nn1ccnc1
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)7-1-2-9(17(18)19)8(5-7)15-16-4-3-14-6-16/h1-6,15H
InChIKeyUDYUBPPAUALTQQ-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.69
Rot. Bonds3

About N-[2-nitro-5-(trifluoromethyl)phenyl]imidazol-1-amine

N-[2-nitro-5-(trifluoromethyl)phenyl]imidazol-1-amine (PubChem CID 175234371) has the molecular formula C10H7F3N4O2 and a molecular weight of 272.19 g/mol. Its IUPAC name is N-[2-nitro-5-(trifluoromethyl)phenyl]imidazol-1-amine.

Molecular Properties

Compound NameN-[2-nitro-5-(trifluoromethyl)phenyl]imidazol-1-amine
PubChem CID175234371
Molecular FormulaC10H7F3N4O2
Molecular Weight272.19 g/mol
Exact Mass272.05
IUPAC NameN-[2-nitro-5-(trifluoromethyl)phenyl]imidazol-1-amine
SMILESO=[N+]([O-])c1ccc(C(F)(F)F)cc1Nn1ccnc1
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)7-1-2-9(17(18)19)8(5-7)15-16-4-3-14-6-16/h1-6,15H
InChIKeyUDYUBPPAUALTQQ-UHFFFAOYSA-N
XLogP2.69
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
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-nitro-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 171028704
N-methyl-2-nitro-5-(trifluoromethyl)aniline;2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 164983746
4-bromo-N-[2-nitro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 174931196
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 23479805
N-[(1-methylpyrazol-3-yl)methyl]-2-nitro-4-(trifluoromethyl)aniline
CID 82873869
N-(3-imidazol-1-ylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline
CID 2804808
2-(difluoromethyl)-1-nitro-4-(trifluoromethyl)benzene
CID 46311752
1-[[1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methyl]imidazole
CID 133336647
1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 133423152
ethyl 2-[2-nitro-5-(trifluoromethyl)anilino]-2-oxoacetate
CID 19990445
N-[(E)-ethylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 173369416
N-(4-methylphenyl)-2-nitro-4-(trifluoromethyl)aniline
CID 3090532

Frequently Asked Questions

What is the IUPAC name of N-[2-nitro-5-(trifluoromethyl)phenyl]imidazol-1-amine?
The IUPAC name of N-[2-nitro-5-(trifluoromethyl)phenyl]imidazol-1-amine (CID 175234371) is N-[2-nitro-5-(trifluoromethyl)phenyl]imidazol-1-amine.
What is the SMILES notation for N-[2-nitro-5-(trifluoromethyl)phenyl]imidazol-1-amine?
The canonical SMILES for N-[2-nitro-5-(trifluoromethyl)phenyl]imidazol-1-amine is O=[N+]([O-])c1ccc(C(F)(F)F)cc1Nn1ccnc1.
What is the InChIKey of N-[2-nitro-5-(trifluoromethyl)phenyl]imidazol-1-amine?
The InChIKey is UDYUBPPAUALTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2/c11-10(12,13)7-1-2-9(17(18)19)8(5-7)15-16-4-3-14-6-16/h1-6,15H.
What are the key properties of N-[2-nitro-5-(trifluoromethyl)phenyl]imidazol-1-amine?
N-[2-nitro-5-(trifluoromethyl)phenyl]imidazol-1-amine has a molecular weight of 272.19 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-nitro-5-(trifluoromethyl)phenyl]imidazol-1-amine is sourced from PubChem (CID 175234371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).