N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide

C12H11F3N4O — CID 103510258

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N4O/c1-19-6-17-5-10(19)11(20)18-7-2-3-9(16)8(4-7)12(13,14)15/h2-6H,16H2,1H3,(H,18,20)
InChIKeyDRXDFJLKBSHBOT-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.27
Rot. Bonds2

About N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide

N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide (PubChem CID 103510258) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
PubChem CID103510258
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N4O/c1-19-6-17-5-10(19)11(20)18-7-2-3-9(16)8(4-7)12(13,14)15/h2-6H,16H2,1H3,(H,18,20)
InChIKeyDRXDFJLKBSHBOT-UHFFFAOYSA-N
XLogP2.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide (CID 103510258) is N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)Nc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide?
The InChIKey is DRXDFJLKBSHBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-19-6-17-5-10(19)11(20)18-7-2-3-9(16)8(4-7)12(13,14)15/h2-6H,16H2,1H3,(H,18,20).
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide?
N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103510258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).