3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide

C17H14F2N4 — CID 82559847

IUPAC3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Cn2ccnc2-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C17H14F2N4/c18-14-7-13(8-15(19)9-14)17-22-4-5-23(17)10-11-2-1-3-12(6-11)16(20)21/h1-9H,10H2,(H3,20,21)
InChIKeyJUDAAPMXAWXHNX-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.16
Rot. Bonds4

About 3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide

3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide (PubChem CID 82559847) has the molecular formula C17H14F2N4 and a molecular weight of 312.32 g/mol. Its IUPAC name is 3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide
PubChem CID82559847
Molecular FormulaC17H14F2N4
Molecular Weight312.32 g/mol
Exact Mass312.12
IUPAC Name3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Cn2ccnc2-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C17H14F2N4/c18-14-7-13(8-15(19)9-14)17-22-4-5-23(17)10-11-2-1-3-12(6-11)16(20)21/h1-9H,10H2,(H3,20,21)
InChIKeyJUDAAPMXAWXHNX-UHFFFAOYSA-N
XLogP3.16
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.16
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 3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide 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-[[2-(1,3-thiazol-2-ylmethyl)imidazol-1-yl]methyl]benzenecarboximidamide
CID 82558265
3-[[3-[(3-carbamimidoylphenyl)methyl]-2-oxoimidazol-1-yl]methyl]benzenecarboximidamide
CID 19689343
3-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzenecarbothioamide
CID 82559182
3-(benzimidazol-1-ylmethyl)benzenecarboximidamide;trihydrochloride
CID 47002397
3-[[(3,5-difluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 105403802
[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
CID 61069749
3-[[2-(4-chlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560578
3-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]benzenecarboximidamide
CID 104606162
methyl 3-[[2-(3,4-difluorophenyl)imidazol-1-yl]methyl]benzoate
CID 82561233
2,4,6-tris(1-benzylimidazol-2-yl)phenol
CID 136721299
3-[(4,4-diethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 63158889
3-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331398

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of 3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide (CID 82559847) is 3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for 3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(Cn2ccnc2-c2cc(F)cc(F)c2)c1.
What is the InChIKey of 3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide?
The InChIKey is JUDAAPMXAWXHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4/c18-14-7-13(8-15(19)9-14)17-22-4-5-23(17)10-11-2-1-3-12(6-11)16(20)21/h1-9H,10H2,(H3,20,21).
What are the key properties of 3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide?
3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide has a molecular weight of 312.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 82559847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).