[4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine

C11H11F2N3 — CID 83853675

IUPAC[4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine
SMILESNCc1ccc(-n2ccnc2C(F)F)cc1
InChIInChI=1S/C11H11F2N3/c12-10(13)11-15-5-6-16(11)9-3-1-8(7-14)2-4-9/h1-6,10H,7,14H2
InChIKeyXWCTXRYLQVWDIL-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.27
Rot. Bonds3

About [4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine

[4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine (PubChem CID 83853675) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is [4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine
PubChem CID83853675
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name[4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine
SMILESNCc1ccc(-n2ccnc2C(F)F)cc1
InChIInChI=1S/C11H11F2N3/c12-10(13)11-15-5-6-16(11)9-3-1-8(7-14)2-4-9/h1-6,10H,7,14H2
InChIKeyXWCTXRYLQVWDIL-UHFFFAOYSA-N
XLogP2.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine 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 [4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine?
The IUPAC name of [4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine (CID 83853675) is [4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine.
What is the SMILES notation for [4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine?
The canonical SMILES for [4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine is NCc1ccc(-n2ccnc2C(F)F)cc1.
What is the InChIKey of [4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine?
The InChIKey is XWCTXRYLQVWDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c12-10(13)11-15-5-6-16(11)9-3-1-8(7-14)2-4-9/h1-6,10H,7,14H2.
What are the key properties of [4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine?
[4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine has a molecular weight of 223.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(difluoromethyl)imidazol-1-yl]phenyl]methanamine is sourced from PubChem (CID 83853675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).