N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline

C13H15F2N3 — CID 43111999

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCc2nccn2C(F)F)c1
InChIInChI=1S/C13H15F2N3/c1-9-5-10(2)7-11(6-9)17-8-12-16-3-4-18(12)13(14)15/h3-7,13,17H,8H2,1-2H3
InChIKeyDEWUQZFQEYNKKJ-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.51
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline (PubChem CID 43111999) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline
PubChem CID43111999
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCc2nccn2C(F)F)c1
InChIInChI=1S/C13H15F2N3/c1-9-5-10(2)7-11(6-9)17-8-12-16-3-4-18(12)13(14)15/h3-7,13,17H,8H2,1-2H3
InChIKeyDEWUQZFQEYNKKJ-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline 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-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline (CID 43111999) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline is Cc1cc(C)cc(NCc2nccn2C(F)F)c1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline?
The InChIKey is DEWUQZFQEYNKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-9-5-10(2)7-11(6-9)17-8-12-16-3-4-18(12)13(14)15/h3-7,13,17H,8H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline has a molecular weight of 251.28 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline is sourced from PubChem (CID 43111999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).