3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide

C15H20N4O — CID 65471937

IUPAC3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)c(OCCn2ccnc2C)c(C)c1
InChIInChI=1S/C15H20N4O/c1-10-8-13(15(16)17)9-11(2)14(10)20-7-6-19-5-4-18-12(19)3/h4-5,8-9H,6-7H2,1-3H3,(H3,16,17)
InChIKeyPNMDSFNEQJIOMQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.17
Rot. Bonds5

About 3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide

3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide (PubChem CID 65471937) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide
PubChem CID65471937
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)c(OCCn2ccnc2C)c(C)c1
InChIInChI=1S/C15H20N4O/c1-10-8-13(15(16)17)9-11(2)14(10)20-7-6-19-5-4-18-12(19)3/h4-5,8-9H,6-7H2,1-3H3,(H3,16,17)
InChIKeyPNMDSFNEQJIOMQ-UHFFFAOYSA-N
XLogP2.17
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.17
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

3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide
CID 65470611
3-fluoro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide
CID 107666684
3,5-dimethyl-4-(2-methylsulfonylethoxy)benzenecarboximidamide
CID 65471366
3,5-dimethyl-4-[(1-methyltriazol-4-yl)methoxy]benzenecarboximidamide
CID 107043385
N-[[5-bromo-3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 115961191
3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide
CID 82917892
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole
CID 112687525
[3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol
CID 61493875
3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
CID 65471181
3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide
CID 61493494
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 65476998
2-methoxy-4-[(2-methylimidazol-1-yl)methyl]benzenecarboximidamide
CID 106791074

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide?
The IUPAC name of 3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide (CID 65471937) is 3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide?
The canonical SMILES for 3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1cc(C)c(OCCn2ccnc2C)c(C)c1.
What is the InChIKey of 3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide?
The InChIKey is PNMDSFNEQJIOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-8-13(15(16)17)9-11(2)14(10)20-7-6-19-5-4-18-12(19)3/h4-5,8-9H,6-7H2,1-3H3,(H3,16,17).
What are the key properties of 3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide?
3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide has a molecular weight of 272.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 65471937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).