N-hydroxy-3-[2-[6-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]hexanoylamino]ethyl]-2-methylimidazol-4-amine oxide

C15H25N7O5 — CID 21142120

IUPACN-hydroxy-3-[2-[6-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]hexanoylamino]ethyl]-2-methylimidazol-4-amine oxide
SMILESCc1ncc([NH+]([O-])O)n1CCNC(=O)CCCCCn1ccnc1[NH+]([O-])O
InChIInChI=1S/C15H25N7O5/c1-12-18-11-14(21(24)25)20(12)10-7-16-13(23)5-3-2-4-8-19-9-6-17-15(19)22(26)27/h6,9,11,21-22,24,26H,2-5,7-8,10H2,1H3,(H,16,23)
InChIKeyIMJWCUUPYXPJLL-UHFFFAOYSA-N
MW383.41 g/mol
LogP-1.43
Rot. Bonds11

About N-hydroxy-3-[2-[6-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]hexanoylamino]ethyl]-2-methylimidazol-4-amine oxide

N-hydroxy-3-[2-[6-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]hexanoylamino]ethyl]-2-methylimidazol-4-amine oxide (PubChem CID 21142120) has the molecular formula C15H25N7O5 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-hydroxy-3-[2-[6-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]hexanoylamino]ethyl]-2-methylimidazol-4-amine oxide.

Molecular Properties

Compound NameN-hydroxy-3-[2-[6-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]hexanoylamino]ethyl]-2-methylimidazol-4-amine oxide
PubChem CID21142120
Molecular FormulaC15H25N7O5
Molecular Weight383.41 g/mol
Exact Mass383.19
IUPAC NameN-hydroxy-3-[2-[6-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]hexanoylamino]ethyl]-2-methylimidazol-4-amine oxide
SMILESCc1ncc([NH+]([O-])O)n1CCNC(=O)CCCCCn1ccnc1[NH+]([O-])O
InChIInChI=1S/C15H25N7O5/c1-12-18-11-14(21(24)25)20(12)10-7-16-13(23)5-3-2-4-8-19-9-6-17-15(19)22(26)27/h6,9,11,21-22,24,26H,2-5,7-8,10H2,1H3,(H,16,23)
InChIKeyIMJWCUUPYXPJLL-UHFFFAOYSA-N
XLogP-1.43
TPSA160.20 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 5-1.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-3-[2-[4-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]butylamino]ethyl]-2-methylimidazol-4-amine oxide;hydrochloride
CID 21142813
N-ethyl-7-(2-methylimidazol-1-yl)heptanamide
CID 54522614
N-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide
CID 163160298
5-bromo-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pentanamide
CID 165459039
5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide
CID 54508862
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide
CID 111471950
4-(4-tert-butylphenoxy)-N-[3-(2-methylimidazol-1-yl)propyl]butanamide
CID 55957830
N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide
CID 44626128
3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide
CID 91762642
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 119857880

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[2-[6-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]hexanoylamino]ethyl]-2-methylimidazol-4-amine oxide?
The IUPAC name of N-hydroxy-3-[2-[6-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]hexanoylamino]ethyl]-2-methylimidazol-4-amine oxide (CID 21142120) is N-hydroxy-3-[2-[6-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]hexanoylamino]ethyl]-2-methylimidazol-4-amine oxide.
What is the SMILES notation for N-hydroxy-3-[2-[6-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]hexanoylamino]ethyl]-2-methylimidazol-4-amine oxide?
The canonical SMILES for N-hydroxy-3-[2-[6-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]hexanoylamino]ethyl]-2-methylimidazol-4-amine oxide is Cc1ncc([NH+]([O-])O)n1CCNC(=O)CCCCCn1ccnc1[NH+]([O-])O.
What is the InChIKey of N-hydroxy-3-[2-[6-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]hexanoylamino]ethyl]-2-methylimidazol-4-amine oxide?
The InChIKey is IMJWCUUPYXPJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O5/c1-12-18-11-14(21(24)25)20(12)10-7-16-13(23)5-3-2-4-8-19-9-6-17-15(19)22(26)27/h6,9,11,21-22,24,26H,2-5,7-8,10H2,1H3,(H,16,23).
What are the key properties of N-hydroxy-3-[2-[6-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]hexanoylamino]ethyl]-2-methylimidazol-4-amine oxide?
N-hydroxy-3-[2-[6-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]hexanoylamino]ethyl]-2-methylimidazol-4-amine oxide has a molecular weight of 383.41 g/mol, XLogP of -1.43, 11 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[2-[6-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]hexanoylamino]ethyl]-2-methylimidazol-4-amine oxide is sourced from PubChem (CID 21142120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).