N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline

C12H11F4N3 — CID 103585765

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline
SMILESCc1cc(F)c(NCc2nccn2C(F)F)cc1F
InChIInChI=1S/C12H11F4N3/c1-7-4-9(14)10(5-8(7)13)18-6-11-17-2-3-19(11)12(15)16/h2-5,12,18H,6H2,1H3
InChIKeyMHUVHHSHUMFASO-UHFFFAOYSA-N
MW273.23 g/mol
LogP3.48
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline (PubChem CID 103585765) has the molecular formula C12H11F4N3 and a molecular weight of 273.23 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline
PubChem CID103585765
Molecular FormulaC12H11F4N3
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline
SMILESCc1cc(F)c(NCc2nccn2C(F)F)cc1F
InChIInChI=1S/C12H11F4N3/c1-7-4-9(14)10(5-8(7)13)18-6-11-17-2-3-19(11)12(15)16/h2-5,12,18H,6H2,1H3
InChIKeyMHUVHHSHUMFASO-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline 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]-2,5-difluoro-4-methylaniline?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline (CID 103585765) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline is Cc1cc(F)c(NCc2nccn2C(F)F)cc1F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline?
The InChIKey is MHUVHHSHUMFASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3/c1-7-4-9(14)10(5-8(7)13)18-6-11-17-2-3-19(11)12(15)16/h2-5,12,18H,6H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline has a molecular weight of 273.23 g/mol, XLogP of 3.48, 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]-2,5-difluoro-4-methylaniline is sourced from PubChem (CID 103585765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).