4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide

C12H14N4O — CID 81302850

IUPAC4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1-n1ccnc1C
InChIInChI=1S/C12H14N4O/c1-8-15-5-6-16(8)11-7-9(17-2)3-4-10(11)12(13)14/h3-7H,1-2H3,(H3,13,14)
InChIKeyAOVYYVFCMAIMJP-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.47
Rot. Bonds3

About 4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide

4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide (PubChem CID 81302850) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide
PubChem CID81302850
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1-n1ccnc1C
InChIInChI=1S/C12H14N4O/c1-8-15-5-6-16(8)11-7-9(17-2)3-4-10(11)12(13)14/h3-7H,1-2H3,(H3,13,14)
InChIKeyAOVYYVFCMAIMJP-UHFFFAOYSA-N
XLogP1.47
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide 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 4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide?
The IUPAC name of 4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide (CID 81302850) is 4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1-n1ccnc1C.
What is the InChIKey of 4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide?
The InChIKey is AOVYYVFCMAIMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-15-5-6-16(8)11-7-9(17-2)3-4-10(11)12(13)14/h3-7H,1-2H3,(H3,13,14).
What are the key properties of 4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide?
4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide has a molecular weight of 230.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 81302850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).