4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide

C12H12F2N4 — CID 81293852

IUPAC4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(-n2ccnc2CC)c(F)c1
InChIInChI=1S/C12H12F2N4/c1-2-10-17-3-4-18(10)11-8(13)5-7(12(15)16)6-9(11)14/h3-6H,2H2,1H3,(H3,15,16)
InChIKeyCKGYTJGVCDBETC-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.00
Rot. Bonds3

About 4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide

4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide (PubChem CID 81293852) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide
PubChem CID81293852
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(-n2ccnc2CC)c(F)c1
InChIInChI=1S/C12H12F2N4/c1-2-10-17-3-4-18(10)11-8(13)5-7(12(15)16)6-9(11)14/h3-6H,2H2,1H3,(H3,15,16)
InChIKeyCKGYTJGVCDBETC-UHFFFAOYSA-N
XLogP2.00
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide 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

3-chloro-4-(2-ethylimidazol-1-yl)benzenecarboximidamide
CID 63089231
4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide
CID 82693934
5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide
CID 115489732
4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81293235
2-methyl-6-(2-propylimidazol-1-yl)pyridine-4-carboximidamide
CID 114769180
5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide
CID 80513406
3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 81293618
4-(diethylamino)-3,5-difluorobenzenecarboximidamide
CID 81293229
3,5-difluoro-4-propoxybenzenecarboximidamide
CID 81293988
4-(2-ethylimidazol-1-yl)-3-fluoroaniline
CID 19627195
4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81293713
2-(2-ethylimidazol-1-yl)-3-fluorobenzoic acid
CID 62648635

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide (CID 81293852) is 4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(-n2ccnc2CC)c(F)c1.
What is the InChIKey of 4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide?
The InChIKey is CKGYTJGVCDBETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c1-2-10-17-3-4-18(10)11-8(13)5-7(12(15)16)6-9(11)14/h3-6H,2H2,1H3,(H3,15,16).
What are the key properties of 4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide?
4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide has a molecular weight of 250.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81293852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).