5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine

C15H18N6O — CID 138040977

IUPAC5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
SMILESCOc1ccc(-c2cnc(NCc3ncnn3C)n2C)cc1
InChIInChI=1S/C15H18N6O/c1-20-13(11-4-6-12(22-3)7-5-11)8-16-15(20)17-9-14-18-10-19-21(14)2/h4-8,10H,9H2,1-3H3,(H,16,17)
InChIKeyXXMOASWSPGUADK-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.84
Rot. Bonds5

About 5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine

5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine (PubChem CID 138040977) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
PubChem CID138040977
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
SMILESCOc1ccc(-c2cnc(NCc3ncnn3C)n2C)cc1
InChIInChI=1S/C15H18N6O/c1-20-13(11-4-6-12(22-3)7-5-11)8-16-15(20)17-9-14-18-10-19-21(14)2/h4-8,10H,9H2,1-3H3,(H,16,17)
InChIKeyXXMOASWSPGUADK-UHFFFAOYSA-N
XLogP1.84
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine 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-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine (CID 138040977) is 5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine is COc1ccc(-c2cnc(NCc3ncnn3C)n2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine?
The InChIKey is XXMOASWSPGUADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-20-13(11-4-6-12(22-3)7-5-11)8-16-15(20)17-9-14-18-10-19-21(14)2/h4-8,10H,9H2,1-3H3,(H,16,17).
What are the key properties of 5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine?
5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine has a molecular weight of 298.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 138040977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).