N-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline

C20H18Cl2F3N3 — CID 154441785

IUPACN-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline
SMILESCc1nc(Cl)c(Cl)n1CCN(C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H18Cl2F3N3/c1-13-26-18(21)19(22)28(13)12-11-27(2)17-9-5-15(6-10-17)14-3-7-16(8-4-14)20(23,24)25/h3-10H,11-12H2,1-2H3
InChIKeyNOCNHGCVEUKWDB-UHFFFAOYSA-N
MW428.29 g/mol
LogP6.32
Rot. Bonds5

About N-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline

N-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 154441785) has the molecular formula C20H18Cl2F3N3 and a molecular weight of 428.29 g/mol. Its IUPAC name is N-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound NameN-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline
PubChem CID154441785
Molecular FormulaC20H18Cl2F3N3
Molecular Weight428.29 g/mol
Exact Mass427.08
IUPAC NameN-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline
SMILESCc1nc(Cl)c(Cl)n1CCN(C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H18Cl2F3N3/c1-13-26-18(21)19(22)28(13)12-11-27(2)17-9-5-15(6-10-17)14-3-7-16(8-4-14)20(23,24)25/h3-10H,11-12H2,1-2H3
InChIKeyNOCNHGCVEUKWDB-UHFFFAOYSA-N
XLogP6.32
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.29
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylimidazol-4-yl)methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 154441795
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline
CID 134254928
1-chloro-8-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 117252634
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline
CID 146573346
methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate
CID 62650602
N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
CID 56714212
2-[2-(1-chloroethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 115502152
1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 18522078
1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol
CID 167467620
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 175854724

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of N-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline (CID 154441785) is N-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for N-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for N-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline is Cc1nc(Cl)c(Cl)n1CCN(C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is NOCNHGCVEUKWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2F3N3/c1-13-26-18(21)19(22)28(13)12-11-27(2)17-9-5-15(6-10-17)14-3-7-16(8-4-14)20(23,24)25/h3-10H,11-12H2,1-2H3.
What are the key properties of N-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
N-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 428.29 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dichloro-2-methylimidazol-1-yl)ethyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 154441785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).