4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide

C15H21N5O — CID 63013963

IUPAC4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCN(C)Cc2nccn2C)cc1
InChIInChI=1S/C15H21N5O/c1-19(11-14-18-7-8-20(14)2)9-10-21-13-5-3-12(4-6-13)15(16)17/h3-8H,9-11H2,1-2H3,(H3,16,17)
InChIKeyOWTSZUVCBVAFAV-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.21
Rot. Bonds7

About 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide

4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide (PubChem CID 63013963) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide
PubChem CID63013963
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCN(C)Cc2nccn2C)cc1
InChIInChI=1S/C15H21N5O/c1-19(11-14-18-7-8-20(14)2)9-10-21-13-5-3-12(4-6-13)15(16)17/h3-8H,9-11H2,1-2H3,(H3,16,17)
InChIKeyOWTSZUVCBVAFAV-UHFFFAOYSA-N
XLogP1.21
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013799
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]propanimidamide
CID 114266428
2-[4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]phenyl]acetonitrile
CID 63015364
4-[2-[bis[2-(4-carbamimidoylphenoxy)ethyl]amino]ethoxy]benzenecarboximidamide
CID 139715205
4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide
CID 62969809
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013801
4-butoxybenzenecarboximidamide
CID 3015454
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide
CID 61377522
N-[2-[acetyl-[3-(4-carbamimidoylphenoxy)propyl]amino]ethyl]-N-[3-(4-carbamimidoylphenoxy)propyl]acetamide
CID 10152289
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide?
The IUPAC name of 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide (CID 63013963) is 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide?
The canonical SMILES for 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCN(C)Cc2nccn2C)cc1.
What is the InChIKey of 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide?
The InChIKey is OWTSZUVCBVAFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19(11-14-18-7-8-20(14)2)9-10-21-13-5-3-12(4-6-13)15(16)17/h3-8H,9-11H2,1-2H3,(H3,16,17).
What are the key properties of 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide?
4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide has a molecular weight of 287.37 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide is sourced from PubChem (CID 63013963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).