2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine

C12H13F2N3 — CID 82930056

IUPAC2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C12H13F2N3/c13-11-2-1-9(5-12(11)14)6-17-7-10(3-4-15)16-8-17/h1-2,5,7-8H,3-4,6,15H2
InChIKeyJWMTTYFEYHPXKF-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.71
Rot. Bonds4

About 2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine

2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine (PubChem CID 82930056) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine
PubChem CID82930056
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C12H13F2N3/c13-11-2-1-9(5-12(11)14)6-17-7-10(3-4-15)16-8-17/h1-2,5,7-8H,3-4,6,15H2
InChIKeyJWMTTYFEYHPXKF-UHFFFAOYSA-N
XLogP1.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine 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 2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine (CID 82930056) is 2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine is NCCc1cn(Cc2ccc(F)c(F)c2)cn1.
What is the InChIKey of 2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is JWMTTYFEYHPXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c13-11-2-1-9(5-12(11)14)6-17-7-10(3-4-15)16-8-17/h1-2,5,7-8H,3-4,6,15H2.
What are the key properties of 2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine?
2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 237.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 82930056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).