5-tert-butylimino-2-phenyl-N-[4-(trifluoromethyl)phenyl]imidazol-4-amine

C20H19F3N4 — CID 175086482

IUPAC5-tert-butylimino-2-phenyl-N-[4-(trifluoromethyl)phenyl]imidazol-4-amine
SMILESCC(C)(C)/N=C1\N=C(c2ccccc2)N=C1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4/c1-19(2,3)27-18-17(25-16(26-18)13-7-5-4-6-8-13)24-15-11-9-14(10-12-15)20(21,22)23/h4-12H,1-3H3,(H,24,25,26,27)
InChIKeyLQUWSZMITUKOSI-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.17
Rot. Bonds2

About 5-tert-butylimino-2-phenyl-N-[4-(trifluoromethyl)phenyl]imidazol-4-amine

5-tert-butylimino-2-phenyl-N-[4-(trifluoromethyl)phenyl]imidazol-4-amine (PubChem CID 175086482) has the molecular formula C20H19F3N4 and a molecular weight of 372.39 g/mol. Its IUPAC name is 5-tert-butylimino-2-phenyl-N-[4-(trifluoromethyl)phenyl]imidazol-4-amine.

Molecular Properties

Compound Name5-tert-butylimino-2-phenyl-N-[4-(trifluoromethyl)phenyl]imidazol-4-amine
PubChem CID175086482
Molecular FormulaC20H19F3N4
Molecular Weight372.39 g/mol
Exact Mass372.16
IUPAC Name5-tert-butylimino-2-phenyl-N-[4-(trifluoromethyl)phenyl]imidazol-4-amine
SMILESCC(C)(C)/N=C1\N=C(c2ccccc2)N=C1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4/c1-19(2,3)27-18-17(25-16(26-18)13-7-5-4-6-8-13)24-15-11-9-14(10-12-15)20(21,22)23/h4-12H,1-3H3,(H,24,25,26,27)
InChIKeyLQUWSZMITUKOSI-UHFFFAOYSA-N
XLogP5.17
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-tert-butylimino-N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrrol-2-amine
CID 146164379
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 80920368
2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 154659659
N-(4-tert-butylphenyl)-2-phenylaniline
CID 139372366
6-phenyl-3-[4-(trifluoromethyl)anilino]-4H-1,2,4-triazin-5-one
CID 135658985
3-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-6-amine
CID 10215490
6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 61229555
ethane;bis(trifluoromethylbenzene)
CID 142912000
2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 169108707
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 78795471

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylimino-2-phenyl-N-[4-(trifluoromethyl)phenyl]imidazol-4-amine?
The IUPAC name of 5-tert-butylimino-2-phenyl-N-[4-(trifluoromethyl)phenyl]imidazol-4-amine (CID 175086482) is 5-tert-butylimino-2-phenyl-N-[4-(trifluoromethyl)phenyl]imidazol-4-amine.
What is the SMILES notation for 5-tert-butylimino-2-phenyl-N-[4-(trifluoromethyl)phenyl]imidazol-4-amine?
The canonical SMILES for 5-tert-butylimino-2-phenyl-N-[4-(trifluoromethyl)phenyl]imidazol-4-amine is CC(C)(C)/N=C1\N=C(c2ccccc2)N=C1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-tert-butylimino-2-phenyl-N-[4-(trifluoromethyl)phenyl]imidazol-4-amine?
The InChIKey is LQUWSZMITUKOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4/c1-19(2,3)27-18-17(25-16(26-18)13-7-5-4-6-8-13)24-15-11-9-14(10-12-15)20(21,22)23/h4-12H,1-3H3,(H,24,25,26,27).
What are the key properties of 5-tert-butylimino-2-phenyl-N-[4-(trifluoromethyl)phenyl]imidazol-4-amine?
5-tert-butylimino-2-phenyl-N-[4-(trifluoromethyl)phenyl]imidazol-4-amine has a molecular weight of 372.39 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylimino-2-phenyl-N-[4-(trifluoromethyl)phenyl]imidazol-4-amine is sourced from PubChem (CID 175086482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).