1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine

C12H13F2N3O — CID 54976408

IUPAC1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESFC(F)Oc1ccc(CNCc2ncc[nH]2)cc1
InChIInChI=1S/C12H13F2N3O/c13-12(14)18-10-3-1-9(2-4-10)7-15-8-11-16-5-6-17-11/h1-6,12,15H,7-8H2,(H,16,17)
InChIKeyWUHIGNRZHCGSBD-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.30
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine

1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine (PubChem CID 54976408) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
PubChem CID54976408
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESFC(F)Oc1ccc(CNCc2ncc[nH]2)cc1
InChIInChI=1S/C12H13F2N3O/c13-12(14)18-10-3-1-9(2-4-10)7-15-8-11-16-5-6-17-11/h1-6,12,15H,7-8H2,(H,16,17)
InChIKeyWUHIGNRZHCGSBD-UHFFFAOYSA-N
XLogP2.30
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)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 1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine (CID 54976408) is 1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine is FC(F)Oc1ccc(CNCc2ncc[nH]2)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine?
The InChIKey is WUHIGNRZHCGSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c13-12(14)18-10-3-1-9(2-4-10)7-15-8-11-16-5-6-17-11/h1-6,12,15H,7-8H2,(H,16,17).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine?
1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine has a molecular weight of 253.25 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine is sourced from PubChem (CID 54976408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).