[4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone

C12H11F2N3O — CID 112532379

IUPAC[4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone
SMILESNCCc1cn(C(=O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C12H11F2N3O/c13-8-1-2-10(11(14)5-8)12(18)17-6-9(3-4-15)16-7-17/h1-2,5-7H,3-4,15H2
InChIKeyCQURAJIRDHHQDJ-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.35
Rot. Bonds3

About [4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone

[4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone (PubChem CID 112532379) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is [4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone
PubChem CID112532379
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name[4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone
SMILESNCCc1cn(C(=O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C12H11F2N3O/c13-8-1-2-10(11(14)5-8)12(18)17-6-9(3-4-15)16-7-17/h1-2,5-7H,3-4,15H2
InChIKeyCQURAJIRDHHQDJ-UHFFFAOYSA-N
XLogP1.35
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one
CID 112532334
[1-(2,5-difluorophenyl)imidazol-4-yl]methanamine
CID 82507740
2,4-difluorobenzamide;dihydrochloride
CID 22032026
N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide
CID 62350431
2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 43612592
2-methoxyethyl 2,4-difluorobenzoate
CID 78830751
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
1-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
CID 55164000
2,4-difluorobenzoyl bromide
CID 87349807
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
bis[2-(aminomethyl)-4-fluorophenyl]methanone
CID 67036129
3-amino-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrate
CID 170876365

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone (CID 112532379) is [4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone is NCCc1cn(C(=O)c2ccc(F)cc2F)cn1.
What is the InChIKey of [4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is CQURAJIRDHHQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c13-8-1-2-10(11(14)5-8)12(18)17-6-9(3-4-15)16-7-17/h1-2,5-7H,3-4,15H2.
What are the key properties of [4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone?
[4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 251.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)imidazol-1-yl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 112532379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).