2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline

C11H13N3O — CID 115023002

IUPAC2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline
SMILESCOc1ccc(-c2nc[nH]c2C)cc1N
InChIInChI=1S/C11H13N3O/c1-7-11(14-6-13-7)8-3-4-10(15-2)9(12)5-8/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyBTYQQWCJXDVURI-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.98
Rot. Bonds2

About 2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline

2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline (PubChem CID 115023002) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline
PubChem CID115023002
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline
SMILESCOc1ccc(-c2nc[nH]c2C)cc1N
InChIInChI=1S/C11H13N3O/c1-7-11(14-6-13-7)8-3-4-10(15-2)9(12)5-8/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyBTYQQWCJXDVURI-UHFFFAOYSA-N
XLogP1.98
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline?
The IUPAC name of 2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline (CID 115023002) is 2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline.
What is the SMILES notation for 2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline?
The canonical SMILES for 2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline is COc1ccc(-c2nc[nH]c2C)cc1N.
What is the InChIKey of 2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline?
The InChIKey is BTYQQWCJXDVURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-11(14-6-13-7)8-3-4-10(15-2)9(12)5-8/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline?
2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline has a molecular weight of 203.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline is sourced from PubChem (CID 115023002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).