4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide

C24H23FN4O2 — CID 161251312

IUPAC4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cccc(COc3ccc(C4=NCCN4)cc3)c2F)cc1
InChIInChI=1S/C24H23FN4O2/c25-22-18(14-30-20-8-4-16(5-9-20)23(26)27)2-1-3-19(22)15-31-21-10-6-17(7-11-21)24-28-12-13-29-24/h1-11H,12-15H2,(H3,26,27)(H,28,29)
InChIKeyVBHRKJDCZISUMS-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.62
Rot. Bonds8

About 4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide

4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide (PubChem CID 161251312) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide
PubChem CID161251312
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cccc(COc3ccc(C4=NCCN4)cc3)c2F)cc1
InChIInChI=1S/C24H23FN4O2/c25-22-18(14-30-20-8-4-16(5-9-20)23(26)27)2-1-3-19(22)15-31-21-10-6-17(7-11-21)24-28-12-13-29-24/h1-11H,12-15H2,(H3,26,27)(H,28,29)
InChIKeyVBHRKJDCZISUMS-UHFFFAOYSA-N
XLogP3.62
TPSA92.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-2-fluorophenyl]methoxy]-3-fluorobenzenecarboximidamide
CID 166781354
4-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658904
4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 102856104
4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide
CID 166781489
4-[(2-fluorophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 42656905
2,6-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine;dihydrochloride
CID 70695580
2-[6-carbamimidoyl-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-yl]acetic acid;dihydrochloride
CID 10388187
4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 55045519
2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249999
2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
CID 107118184
3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine
CID 82245169
2-[4-[(4-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249355

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide?
The IUPAC name of 4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide (CID 161251312) is 4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide?
The canonical SMILES for 4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2cccc(COc3ccc(C4=NCCN4)cc3)c2F)cc1.
What is the InChIKey of 4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide?
The InChIKey is VBHRKJDCZISUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c25-22-18(14-30-20-8-4-16(5-9-20)23(26)27)2-1-3-19(22)15-31-21-10-6-17(7-11-21)24-28-12-13-29-24/h1-11H,12-15H2,(H3,26,27)(H,28,29).
What are the key properties of 4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide?
4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide has a molecular weight of 418.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide is sourced from PubChem (CID 161251312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).