5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid

C20H20BrN3O5 — CID 126460429

IUPAC5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
SMILESCOc1cccc(CNc2ncc(-c3ccc(Br)cc3)n2C)c1.O=C(O)C(=O)O
InChIInChI=1S/C18H18BrN3O.C2H2O4/c1-22-17(14-6-8-15(19)9-7-14)12-21-18(22)20-11-13-4-3-5-16(10-13)23-2;3-1(4)2(5)6/h3-10,12H,11H2,1-2H3,(H,20,21);(H,3,4)(H,5,6)
InChIKeyLWMJKLNVOMQKIV-UHFFFAOYSA-N
MW462.30 g/mol
LogP3.63
Rot. Bonds5

About 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid

5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid (PubChem CID 126460429) has the molecular formula C20H20BrN3O5 and a molecular weight of 462.30 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
PubChem CID126460429
Molecular FormulaC20H20BrN3O5
Molecular Weight462.30 g/mol
Exact Mass461.06
IUPAC Name5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
SMILESCOc1cccc(CNc2ncc(-c3ccc(Br)cc3)n2C)c1.O=C(O)C(=O)O
InChIInChI=1S/C18H18BrN3O.C2H2O4/c1-22-17(14-6-8-15(19)9-7-14)12-21-18(22)20-11-13-4-3-5-16(10-13)23-2;3-1(4)2(5)6/h3-10,12H,11H2,1-2H3,(H,20,21);(H,3,4)(H,5,6)
InChIKeyLWMJKLNVOMQKIV-UHFFFAOYSA-N
XLogP3.63
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.30
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(4-bromophenyl)-N-[(3-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

Related Compounds

5-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 126468009
5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163327777
5-(3-methoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 126460185
5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 4000715
5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine
CID 3605721
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
CID 163327719
N-[(4-bromophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine;oxalic acid
CID 163327459
1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163327528
N-[(3-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-1-methylimidazol-2-amine;oxalic acid
CID 163326888
5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163326916
N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine
CID 5144981
5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine
CID 5028642

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid?
The IUPAC name of 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid (CID 126460429) is 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid.
What is the SMILES notation for 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid?
The canonical SMILES for 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid is COc1cccc(CNc2ncc(-c3ccc(Br)cc3)n2C)c1.O=C(O)C(=O)O.
What is the InChIKey of 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid?
The InChIKey is LWMJKLNVOMQKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O.C2H2O4/c1-22-17(14-6-8-15(19)9-7-14)12-21-18(22)20-11-13-4-3-5-16(10-13)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-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid?
5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid has a molecular weight of 462.30 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid is sourced from PubChem (CID 126460429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).