N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pentan-2-amine

C10H17F2N3 — CID 43112005

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]pentan-2-amine
SMILESCCCC(C)NCc1nccn1C(F)F
InChIInChI=1S/C10H17F2N3/c1-3-4-8(2)14-7-9-13-5-6-15(9)10(11)12/h5-6,8,10,14H,3-4,7H2,1-2H3
InChIKeyGRRGOZHFGGFSJU-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.56
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pentan-2-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pentan-2-amine (PubChem CID 43112005) has the molecular formula C10H17F2N3 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]pentan-2-amine
PubChem CID43112005
Molecular FormulaC10H17F2N3
Molecular Weight217.26 g/mol
Exact Mass217.14
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]pentan-2-amine
SMILESCCCC(C)NCc1nccn1C(F)F
InChIInChI=1S/C10H17F2N3/c1-3-4-8(2)14-7-9-13-5-6-15(9)10(11)12/h5-6,8,10,14H,3-4,7H2,1-2H3
InChIKeyGRRGOZHFGGFSJU-UHFFFAOYSA-N
XLogP2.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pentan-2-amine 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]pentan-2-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pentan-2-amine (CID 43112005) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pentan-2-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pentan-2-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pentan-2-amine is CCCC(C)NCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pentan-2-amine?
The InChIKey is GRRGOZHFGGFSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3/c1-3-4-8(2)14-7-9-13-5-6-15(9)10(11)12/h5-6,8,10,14H,3-4,7H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pentan-2-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pentan-2-amine has a molecular weight of 217.26 g/mol, XLogP of 2.56, 6 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]pentan-2-amine is sourced from PubChem (CID 43112005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).