N'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide

C17H21N5O3 — CID 42618304

IUPACN'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)N/N=C/c1ccc(-n2ccnc2)cc1)NO
InChIInChI=1S/C17H21N5O3/c23-16(4-2-1-3-5-17(24)21-25)20-19-12-14-6-8-15(9-7-14)22-11-10-18-13-22/h6-13,25H,1-5H2,(H,20,23)(H,21,24)/b19-12+
InChIKeyMZMVTMXONHARQJ-XDHOZWIPSA-N
MW343.39 g/mol
LogP1.78
Rot. Bonds9

About N'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide

N'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide (PubChem CID 42618304) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide
PubChem CID42618304
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)N/N=C/c1ccc(-n2ccnc2)cc1)NO
InChIInChI=1S/C17H21N5O3/c23-16(4-2-1-3-5-17(24)21-25)20-19-12-14-6-8-15(9-7-14)22-11-10-18-13-22/h6-13,25H,1-5H2,(H,20,23)(H,21,24)/b19-12+
InChIKeyMZMVTMXONHARQJ-XDHOZWIPSA-N
XLogP1.78
TPSA108.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide?
The IUPAC name of N'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide (CID 42618304) is N'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide.
What is the SMILES notation for N'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide?
The canonical SMILES for N'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide is O=C(CCCCCC(=O)N/N=C/c1ccc(-n2ccnc2)cc1)NO.
What is the InChIKey of N'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide?
The InChIKey is MZMVTMXONHARQJ-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-16(4-2-1-3-5-17(24)21-25)20-19-12-14-6-8-15(9-7-14)22-11-10-18-13-22/h6-13,25H,1-5H2,(H,20,23)(H,21,24)/b19-12+.
What are the key properties of N'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide?
N'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide has a molecular weight of 343.39 g/mol, XLogP of 1.78, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]heptanediamide is sourced from PubChem (CID 42618304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).