3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide

C17H13F3N4O — CID 71902463

IUPAC3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)c1cncn1-c1ccccc1
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)12-5-4-6-13(9-12)22-23-16(25)15-10-21-11-24(15)14-7-2-1-3-8-14/h1-11,22H,(H,23,25)
InChIKeyXPUKKUHTIARCCW-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.65
Rot. Bonds4

About 3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide

3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide (PubChem CID 71902463) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide.

Molecular Properties

Compound Name3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide
PubChem CID71902463
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)c1cncn1-c1ccccc1
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)12-5-4-6-13(9-12)22-23-16(25)15-10-21-11-24(15)14-7-2-1-3-8-14/h1-11,22H,(H,23,25)
InChIKeyXPUKKUHTIARCCW-UHFFFAOYSA-N
XLogP3.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide 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-(3-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 27166887
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 91802666
1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide
CID 56519892
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-phenylimidazole-4-carboxamide
CID 27888825
N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide
CID 30507763
4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55343538
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide
CID 111451586
4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55489667
N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide
CID 55343312
N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide
CID 31957371
N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide
CID 119996977

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide?
The IUPAC name of 3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide (CID 71902463) is 3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide.
What is the SMILES notation for 3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide?
The canonical SMILES for 3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide is O=C(NNc1cccc(C(F)(F)F)c1)c1cncn1-c1ccccc1.
What is the InChIKey of 3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide?
The InChIKey is XPUKKUHTIARCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c18-17(19,20)12-5-4-6-13(9-12)22-23-16(25)15-10-21-11-24(15)14-7-2-1-3-8-14/h1-11,22H,(H,23,25).
What are the key properties of 3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide?
3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide has a molecular weight of 346.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide is sourced from PubChem (CID 71902463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).