N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine

C23H16ClF4N3 — CID 163368881

IUPACN-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine
SMILESFc1cccc(-n2cc(-c3ccccc3)nc2NCc2ccc(C(F)(F)F)c(Cl)c2)c1
InChIInChI=1S/C23H16ClF4N3/c24-20-11-15(9-10-19(20)23(26,27)28)13-29-22-30-21(16-5-2-1-3-6-16)14-31(22)18-8-4-7-17(25)12-18/h1-12,14H,13H2,(H,29,30)
InChIKeySGSPUVQFTULFRS-UHFFFAOYSA-N
MW445.85 g/mol
LogP6.96
Rot. Bonds5

About N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine

N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine (PubChem CID 163368881) has the molecular formula C23H16ClF4N3 and a molecular weight of 445.85 g/mol. Its IUPAC name is N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine
PubChem CID163368881
Molecular FormulaC23H16ClF4N3
Molecular Weight445.85 g/mol
Exact Mass445.10
IUPAC NameN-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine
SMILESFc1cccc(-n2cc(-c3ccccc3)nc2NCc2ccc(C(F)(F)F)c(Cl)c2)c1
InChIInChI=1S/C23H16ClF4N3/c24-20-11-15(9-10-19(20)23(26,27)28)13-29-22-30-21(16-5-2-1-3-6-16)14-31(22)18-8-4-7-17(25)12-18/h1-12,14H,13H2,(H,29,30)
InChIKeySGSPUVQFTULFRS-UHFFFAOYSA-N
XLogP6.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.85
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethynylphenyl)-1-(3-fluorophenyl)-N-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 170653066
1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 163368812
1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole
CID 163368821
1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
CID 163368823
N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine
CID 106570145
N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine
CID 106558438
2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole
CID 163368845
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[(3,4-difluorophenyl)methyl]benzimidazol-2-amine
CID 11525259
4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
CID 163368869
N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide
CID 42825414
N-(1,4-diphenylimidazol-2-yl)-4-(2-phenylethyl)benzamide
CID 70261482
N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide
CID 46145226

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine?
The IUPAC name of N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine (CID 163368881) is N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine.
What is the SMILES notation for N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine?
The canonical SMILES for N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine is Fc1cccc(-n2cc(-c3ccccc3)nc2NCc2ccc(C(F)(F)F)c(Cl)c2)c1.
What is the InChIKey of N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine?
The InChIKey is SGSPUVQFTULFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF4N3/c24-20-11-15(9-10-19(20)23(26,27)28)13-29-22-30-21(16-5-2-1-3-6-16)14-31(22)18-8-4-7-17(25)12-18/h1-12,14H,13H2,(H,29,30).
What are the key properties of N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine?
N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine has a molecular weight of 445.85 g/mol, XLogP of 6.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine is sourced from PubChem (CID 163368881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).