N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide

C14H18N4O — CID 107930079

IUPACN'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
SMILESCCCc1nccn1-c1ccc(C)cc1/C(N)=N/O
InChIInChI=1S/C14H18N4O/c1-3-4-13-16-7-8-18(13)12-6-5-10(2)9-11(12)14(15)17-19/h5-9,19H,3-4H2,1-2H3,(H2,15,17)
InChIKeyDVKPIYFAWJVEBM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.23
Rot. Bonds4

About N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide

N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide (PubChem CID 107930079) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
PubChem CID107930079
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
SMILESCCCc1nccn1-c1ccc(C)cc1/C(N)=N/O
InChIInChI=1S/C14H18N4O/c1-3-4-13-16-7-8-18(13)12-6-5-10(2)9-11(12)14(15)17-19/h5-9,19H,3-4H2,1-2H3,(H2,15,17)
InChIKeyDVKPIYFAWJVEBM-UHFFFAOYSA-N
XLogP2.23
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.23
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'}

Analyze N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)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

5-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 114892684
N'-hydroxy-5-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 107930064
4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 114904183
N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 107109573
N'-hydroxy-6-methyl-2-(2-propylimidazol-1-yl)pyridine-3-carboximidamide
CID 77021204
N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 62308838
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929913
N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 107929738
2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81303403
2-(2-ethylimidazol-1-yl)-5-methylaniline
CID 61402224
N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide
CID 76982032
N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 107929898

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide (CID 107930079) is N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide is CCCc1nccn1-c1ccc(C)cc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide?
The InChIKey is DVKPIYFAWJVEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-4-13-16-7-8-18(13)12-6-5-10(2)9-11(12)14(15)17-19/h5-9,19H,3-4H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide?
N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide has a molecular weight of 258.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 107930079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).