2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

C18H16F3N3 — CID 163393543

IUPAC2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESCn1cnc(-c2ccccc2NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H16F3N3/c1-24-11-17(23-12-24)15-4-2-3-5-16(15)22-10-13-6-8-14(9-7-13)18(19,20)21/h2-9,11-12,22H,10H2,1H3
InChIKeyYPVJRUCTUWVBMD-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.72
Rot. Bonds4

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

2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 163393543) has the molecular formula C18H16F3N3 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID163393543
Molecular FormulaC18H16F3N3
Molecular Weight331.34 g/mol
Exact Mass331.13
IUPAC Name2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESCn1cnc(-c2ccccc2NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H16F3N3/c1-24-11-17(23-12-24)15-4-2-3-5-16(15)22-10-13-6-8-14(9-7-13)18(19,20)21/h2-9,11-12,22H,10H2,1H3
InChIKeyYPVJRUCTUWVBMD-UHFFFAOYSA-N
XLogP4.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 163393605
2-[2-[2-(methylamino)ethoxy]ethoxy]ethanamine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzaldehyde
CID 163393345
2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 14098781
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29031697
1-[[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]methyl]imidazolidin-2-one
CID 170739668
2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 43706278
N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethoxy)phenyl]methylamino]benzenesulfonamide
CID 155342859
4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 159363476
2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 62815004
N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide
CID 78882971
2-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[2-[1-[3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzoyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
CID 163393769
tert-butyl N-[4-(chloromethyl)-2-(1-methylimidazol-4-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]carbamate
CID 176890472

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (CID 163393543) is 2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is Cn1cnc(-c2ccccc2NCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is YPVJRUCTUWVBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3/c1-24-11-17(23-12-24)15-4-2-3-5-16(15)22-10-13-6-8-14(9-7-13)18(19,20)21/h2-9,11-12,22H,10H2,1H3.
What are the key properties of 2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 331.34 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 163393543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).