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

C20H20FN3O5 — CID 23724421

IUPAC5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
SMILESCOc1ccccc1CNc1ncc(-c2ccc(F)cc2)n1C.O=C(O)C(=O)O
InChIInChI=1S/C18H18FN3O.C2H2O4/c1-22-16(13-7-9-15(19)10-8-13)12-21-18(22)20-11-14-5-3-4-6-17(14)23-2;3-1(4)2(5)6/h3-10,12H,11H2,1-2H3,(H,20,21);(H,3,4)(H,5,6)
InChIKeyOXFURCJSODRILF-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.00
Rot. Bonds5

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

5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid (PubChem CID 23724421) has the molecular formula C20H20FN3O5 and a molecular weight of 401.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
PubChem CID23724421
Molecular FormulaC20H20FN3O5
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC Name5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
SMILESCOc1ccccc1CNc1ncc(-c2ccc(F)cc2)n1C.O=C(O)C(=O)O
InChIInChI=1S/C18H18FN3O.C2H2O4/c1-22-16(13-7-9-15(19)10-8-13)12-21-18(22)20-11-14-5-3-4-6-17(14)23-2;3-1(4)2(5)6/h3-10,12H,11H2,1-2H3,(H,20,21);(H,3,4)(H,5,6)
InChIKeyOXFURCJSODRILF-UHFFFAOYSA-N
XLogP3.00
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid?
The IUPAC name of 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid (CID 23724421) is 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid is COc1ccccc1CNc1ncc(-c2ccc(F)cc2)n1C.O=C(O)C(=O)O.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid?
The InChIKey is OXFURCJSODRILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O.C2H2O4/c1-22-16(13-7-9-15(19)10-8-13)12-21-18(22)20-11-14-5-3-4-6-17(14)23-2;3-1(4)2(5)6/h3-10,12H,11H2,1-2H3,(H,20,21);(H,3,4)(H,5,6).
What are the key properties of 5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid?
5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid has a molecular weight of 401.39 g/mol, XLogP of 3.00, 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-[(2-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid is sourced from PubChem (CID 23724421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).