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

C15H20N4O2 — CID 114528109

IUPACN'-hydroxy-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)cc(C)c1OCCc1nccn1C
InChIInChI=1S/C15H20N4O2/c1-10-8-12(15(16)18-20)9-11(2)14(10)21-7-4-13-17-5-6-19(13)3/h5-6,8-9,20H,4,7H2,1-3H3,(H2,16,18)
InChIKeyYWTXAHYVWDBZDM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.75
Rot. Bonds5

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

N'-hydroxy-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenecarboximidamide (PubChem CID 114528109) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N'-hydroxy-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenecarboximidamide
PubChem CID114528109
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN'-hydroxy-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)cc(C)c1OCCc1nccn1C
InChIInChI=1S/C15H20N4O2/c1-10-8-12(15(16)18-20)9-11(2)14(10)21-7-4-13-17-5-6-19(13)3/h5-6,8-9,20H,4,7H2,1-3H3,(H2,16,18)
InChIKeyYWTXAHYVWDBZDM-UHFFFAOYSA-N
XLogP1.75
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.75
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114526998
3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527396
N'-hydroxy-3-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]benzenecarboximidamide
CID 114482818
4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068953
N'-hydroxy-4-[2-[(1-methylimidazol-2-yl)methylamino]ethoxy]benzenecarboximidamide
CID 77029114
5-bromo-3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527410
[3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114527174
N'-hydroxy-4-methoxy-3,5-dimethylbenzenecarboximidamide
CID 65470982
N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527280
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol
CID 90045312
4-[2-(1-methylimidazol-2-yl)ethoxy]phenol
CID 114528497

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenecarboximidamide (CID 114528109) is N'-hydroxy-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenecarboximidamide is Cc1cc(/C(N)=N/O)cc(C)c1OCCc1nccn1C.
What is the InChIKey of N'-hydroxy-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenecarboximidamide?
The InChIKey is YWTXAHYVWDBZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-8-12(15(16)18-20)9-11(2)14(10)21-7-4-13-17-5-6-19(13)3/h5-6,8-9,20H,4,7H2,1-3H3,(H2,16,18).
What are the key properties of N'-hydroxy-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenecarboximidamide?
N'-hydroxy-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenecarboximidamide has a molecular weight of 288.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 114528109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).