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

C18H16F2N4 — CID 82558374

IUPAC2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Cn1ccnc1Cc1ccc(F)cc1F
InChIInChI=1S/C18H16F2N4/c19-14-6-5-12(16(20)10-14)9-17-23-7-8-24(17)11-13-3-1-2-4-15(13)18(21)22/h1-8,10H,9,11H2,(H3,21,22)
InChIKeyUKJCNFMADQYFTH-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.08
Rot. Bonds5

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

2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide (PubChem CID 82558374) has the molecular formula C18H16F2N4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide
PubChem CID82558374
Molecular FormulaC18H16F2N4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Cn1ccnc1Cc1ccc(F)cc1F
InChIInChI=1S/C18H16F2N4/c19-14-6-5-12(16(20)10-14)9-17-23-7-8-24(17)11-13-3-1-2-4-15(13)18(21)22/h1-8,10H,9,11H2,(H3,21,22)
InChIKeyUKJCNFMADQYFTH-UHFFFAOYSA-N
XLogP3.08
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.08
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'}

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Related Compounds

2-[[2-[(1-phenylpyrazol-4-yl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide
CID 82558446
2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide
CID 82557818
2-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 62196027
methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate
CID 82560948
1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole
CID 82561944
2-[[2-[(2-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82557961
methyl 4-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzoate
CID 82561071
2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide
CID 55168136
2-[[2-[(4-aminophenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82558661
3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
CID 62895246
1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide
CID 142911354
2-[[2-[(3-nitrophenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82558761

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of 2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide (CID 82558374) is 2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for 2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1Cn1ccnc1Cc1ccc(F)cc1F.
What is the InChIKey of 2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide?
The InChIKey is UKJCNFMADQYFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4/c19-14-6-5-12(16(20)10-14)9-17-23-7-8-24(17)11-13-3-1-2-4-15(13)18(21)22/h1-8,10H,9,11H2,(H3,21,22).
What are the key properties of 2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide?
2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide has a molecular weight of 326.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 82558374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).