4-imidazol-1-yl-2-methoxyaniline

C10H11N3O — CID 58314212

IUPAC4-imidazol-1-yl-2-methoxyaniline
SMILESCOc1cc(-n2ccnc2)ccc1N
InChIInChI=1S/C10H11N3O/c1-14-10-6-8(2-3-9(10)11)13-5-4-12-7-13/h2-7H,11H2,1H3
InChIKeyNDRYBXYOJFDWLK-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.46
Rot. Bonds2

About 4-imidazol-1-yl-2-methoxyaniline

4-imidazol-1-yl-2-methoxyaniline (PubChem CID 58314212) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-methoxyaniline.

Molecular Properties

Compound Name4-imidazol-1-yl-2-methoxyaniline
PubChem CID58314212
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-imidazol-1-yl-2-methoxyaniline
SMILESCOc1cc(-n2ccnc2)ccc1N
InChIInChI=1S/C10H11N3O/c1-14-10-6-8(2-3-9(10)11)13-5-4-12-7-13/h2-7H,11H2,1H3
InChIKeyNDRYBXYOJFDWLK-UHFFFAOYSA-N
XLogP1.46
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-methoxyaniline?
The IUPAC name of 4-imidazol-1-yl-2-methoxyaniline (CID 58314212) is 4-imidazol-1-yl-2-methoxyaniline.
What is the SMILES notation for 4-imidazol-1-yl-2-methoxyaniline?
The canonical SMILES for 4-imidazol-1-yl-2-methoxyaniline is COc1cc(-n2ccnc2)ccc1N.
What is the InChIKey of 4-imidazol-1-yl-2-methoxyaniline?
The InChIKey is NDRYBXYOJFDWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-14-10-6-8(2-3-9(10)11)13-5-4-12-7-13/h2-7H,11H2,1H3.
What are the key properties of 4-imidazol-1-yl-2-methoxyaniline?
4-imidazol-1-yl-2-methoxyaniline has a molecular weight of 189.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-methoxyaniline is sourced from PubChem (CID 58314212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).