5-(4-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine;oxalic acid

C24H22FN3O5 — CID 23724268

IUPAC5-(4-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine;oxalic acid
SMILESCOc1ccc(CNc2ncc(-c3ccc(F)cc3)n2C)c2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C22H20FN3O.C2H2O4/c1-26-20(15-7-10-17(23)11-8-15)14-25-22(26)24-13-16-9-12-21(27-2)19-6-4-3-5-18(16)19;3-1(4)2(5)6/h3-12,14H,13H2,1-2H3,(H,24,25);(H,3,4)(H,5,6)
InChIKeyGJIARZWGQZKWQE-UHFFFAOYSA-N
MW451.45 g/mol
LogP4.16
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine;oxalic acid

5-(4-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine;oxalic acid (PubChem CID 23724268) has the molecular formula C24H22FN3O5 and a molecular weight of 451.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine;oxalic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine;oxalic acid
PubChem CID23724268
Molecular FormulaC24H22FN3O5
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC Name5-(4-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine;oxalic acid
SMILESCOc1ccc(CNc2ncc(-c3ccc(F)cc3)n2C)c2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C22H20FN3O.C2H2O4/c1-26-20(15-7-10-17(23)11-8-15)14-25-22(26)24-13-16-9-12-21(27-2)19-6-4-3-5-18(16)19;3-1(4)2(5)6/h3-12,14H,13H2,1-2H3,(H,24,25);(H,3,4)(H,5,6)
InChIKeyGJIARZWGQZKWQE-UHFFFAOYSA-N
XLogP4.16
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine;oxalic acid?
The IUPAC name of 5-(4-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine;oxalic acid (CID 23724268) is 5-(4-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine;oxalic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine;oxalic acid?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine;oxalic acid is COc1ccc(CNc2ncc(-c3ccc(F)cc3)n2C)c2ccccc12.O=C(O)C(=O)O.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine;oxalic acid?
The InChIKey is GJIARZWGQZKWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O.C2H2O4/c1-26-20(15-7-10-17(23)11-8-15)14-25-22(26)24-13-16-9-12-21(27-2)19-6-4-3-5-18(16)19;3-1(4)2(5)6/h3-12,14H,13H2,1-2H3,(H,24,25);(H,3,4)(H,5,6).
What are the key properties of 5-(4-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine;oxalic acid?
5-(4-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine;oxalic acid has a molecular weight of 451.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine;oxalic acid is sourced from PubChem (CID 23724268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).