3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide

C14H18N4O — CID 77043825

IUPAC3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide
SMILESCCc1nccn1CC(C(N)=NO)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-2-13-16-8-9-18(13)10-12(14(15)17-19)11-6-4-3-5-7-11/h3-9,12,19H,2,10H2,1H3,(H2,15,17)
InChIKeySVFJCVNLKINVRY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.98
Rot. Bonds5

About 3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide

3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide (PubChem CID 77043825) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide
PubChem CID77043825
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide
SMILESCCc1nccn1CC(C(N)=NO)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-2-13-16-8-9-18(13)10-12(14(15)17-19)11-6-4-3-5-7-11/h3-9,12,19H,2,10H2,1H3,(H2,15,17)
InChIKeySVFJCVNLKINVRY-UHFFFAOYSA-N
XLogP1.98
TPSA76.43 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 ≤ 51.98
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide
CID 64538119
2-(2-ethylimidazol-1-yl)-1-(2-methylphenyl)ethanamine
CID 61402571
N'-hydroxy-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide
CID 77043871
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide
CID 77043553
N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide
CID 77043598
(1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol
CID 124757752
5-(2-ethylimidazol-1-yl)-N'-hydroxypentanimidamide
CID 109374642
4-(1-ethylimidazol-2-yl)-2-phenylbutanoic acid
CID 81009407
4-amino-N'-hydroxy-2-phenylbutanimidamide
CID 141138558
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 109411205
methyl 2-phenyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 64564775
1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 61405424

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide (CID 77043825) is 3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide is CCc1nccn1CC(C(N)=NO)c1ccccc1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide?
The InChIKey is SVFJCVNLKINVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-13-16-8-9-18(13)10-12(14(15)17-19)11-6-4-3-5-7-11/h3-9,12,19H,2,10H2,1H3,(H2,15,17).
What are the key properties of 3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide?
3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide has a molecular weight of 258.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-N'-hydroxy-2-phenylpropanimidamide is sourced from PubChem (CID 77043825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).