4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide

C14H18N4O — CID 106791090

IUPAC4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cn2ccnc2CC)cc1OC
InChIInChI=1S/C14H18N4O/c1-3-13-17-6-7-18(13)9-10-4-5-11(14(15)16)12(8-10)19-2/h4-8H,3,9H2,1-2H3,(H3,15,16)
InChIKeyTYEJDGICVZSDHT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.79
Rot. Bonds5

About 4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide

4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide (PubChem CID 106791090) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide
PubChem CID106791090
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cn2ccnc2CC)cc1OC
InChIInChI=1S/C14H18N4O/c1-3-13-17-6-7-18(13)9-10-4-5-11(14(15)16)12(8-10)19-2/h4-8H,3,9H2,1-2H3,(H3,15,16)
InChIKeyTYEJDGICVZSDHT-UHFFFAOYSA-N
XLogP1.79
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.79
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'}

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Related Compounds

2-methoxy-4-[(2-methylimidazol-1-yl)methyl]benzenecarboximidamide
CID 106791074
2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 106790530
4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106791089
4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790956
4-[(4-ethylazepan-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790895
2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide
CID 126822232
3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
CID 62895246
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]benzenecarboximidamide
CID 106790715
4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790876
4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790941
4-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106791012
4-[(4-hydroxy-4-methylazepan-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 107404848

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide (CID 106791090) is 4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cn2ccnc2CC)cc1OC.
What is the InChIKey of 4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide?
The InChIKey is TYEJDGICVZSDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-13-17-6-7-18(13)9-10-4-5-11(14(15)16)12(8-10)19-2/h4-8H,3,9H2,1-2H3,(H3,15,16).
What are the key properties of 4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide?
4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide has a molecular weight of 258.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106791090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).