N,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide

C16H19F3N4O — CID 71871409

IUPACN,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide
SMILESCc1cc(NCc2nccn2CC(F)(F)F)ccc1C(=O)N(C)C
InChIInChI=1S/C16H19F3N4O/c1-11-8-12(4-5-13(11)15(24)22(2)3)21-9-14-20-6-7-23(14)10-16(17,18)19/h4-8,21H,9-10H2,1-3H3
InChIKeyGIXLKLYQGSRGTE-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.07
Rot. Bonds5

About N,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide

N,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide (PubChem CID 71871409) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is N,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide.

Molecular Properties

Compound NameN,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide
PubChem CID71871409
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC NameN,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide
SMILESCc1cc(NCc2nccn2CC(F)(F)F)ccc1C(=O)N(C)C
InChIInChI=1S/C16H19F3N4O/c1-11-8-12(4-5-13(11)15(24)22(2)3)21-9-14-20-6-7-23(14)10-16(17,18)19/h4-8,21H,9-10H2,1-3H3
InChIKeyGIXLKLYQGSRGTE-UHFFFAOYSA-N
XLogP3.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide?
The IUPAC name of N,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide (CID 71871409) is N,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide.
What is the SMILES notation for N,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide?
The canonical SMILES for N,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide is Cc1cc(NCc2nccn2CC(F)(F)F)ccc1C(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide?
The InChIKey is GIXLKLYQGSRGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-11-8-12(4-5-13(11)15(24)22(2)3)21-9-14-20-6-7-23(14)10-16(17,18)19/h4-8,21H,9-10H2,1-3H3.
What are the key properties of N,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide?
N,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide has a molecular weight of 340.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide is sourced from PubChem (CID 71871409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).