3-methoxy-4-(5-methylimidazol-1-yl)aniline

C11H13N3O — CID 59577843

IUPAC3-methoxy-4-(5-methylimidazol-1-yl)aniline
SMILESCOc1cc(N)ccc1-n1cncc1C
InChIInChI=1S/C11H13N3O/c1-8-6-13-7-14(8)10-4-3-9(12)5-11(10)15-2/h3-7H,12H2,1-2H3
InChIKeyAATQBXJFKSHSCU-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.77
Rot. Bonds2

About 3-methoxy-4-(5-methylimidazol-1-yl)aniline

3-methoxy-4-(5-methylimidazol-1-yl)aniline (PubChem CID 59577843) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-methoxy-4-(5-methylimidazol-1-yl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(5-methylimidazol-1-yl)aniline
PubChem CID59577843
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name3-methoxy-4-(5-methylimidazol-1-yl)aniline
SMILESCOc1cc(N)ccc1-n1cncc1C
InChIInChI=1S/C11H13N3O/c1-8-6-13-7-14(8)10-4-3-9(12)5-11(10)15-2/h3-7H,12H2,1-2H3
InChIKeyAATQBXJFKSHSCU-UHFFFAOYSA-N
XLogP1.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-(5-methylimidazol-1-yl)aniline 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 3-methoxy-4-(5-methylimidazol-1-yl)aniline?
The IUPAC name of 3-methoxy-4-(5-methylimidazol-1-yl)aniline (CID 59577843) is 3-methoxy-4-(5-methylimidazol-1-yl)aniline.
What is the SMILES notation for 3-methoxy-4-(5-methylimidazol-1-yl)aniline?
The canonical SMILES for 3-methoxy-4-(5-methylimidazol-1-yl)aniline is COc1cc(N)ccc1-n1cncc1C.
What is the InChIKey of 3-methoxy-4-(5-methylimidazol-1-yl)aniline?
The InChIKey is AATQBXJFKSHSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-6-13-7-14(8)10-4-3-9(12)5-11(10)15-2/h3-7H,12H2,1-2H3.
What are the key properties of 3-methoxy-4-(5-methylimidazol-1-yl)aniline?
3-methoxy-4-(5-methylimidazol-1-yl)aniline has a molecular weight of 203.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(5-methylimidazol-1-yl)aniline is sourced from PubChem (CID 59577843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).