2-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethoxy]ethanol

C8H14N4O4 — CID 60677592

IUPAC2-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethoxy]ethanol
SMILESCn1cnc([N+](=O)[O-])c1NCCOCCO
InChIInChI=1S/C8H14N4O4/c1-11-6-10-8(12(14)15)7(11)9-2-4-16-5-3-13/h6,9,13H,2-5H2,1H3
InChIKeyIQACOSJOFYLDTH-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.25
Rot. Bonds7

About 2-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethoxy]ethanol

2-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethoxy]ethanol (PubChem CID 60677592) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethoxy]ethanol
PubChem CID60677592
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name2-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethoxy]ethanol
SMILESCn1cnc([N+](=O)[O-])c1NCCOCCO
InChIInChI=1S/C8H14N4O4/c1-11-6-10-8(12(14)15)7(11)9-2-4-16-5-3-13/h6,9,13H,2-5H2,1H3
InChIKeyIQACOSJOFYLDTH-UHFFFAOYSA-N
XLogP-0.25
TPSA102.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-but-3-enoxyethyl)-3-methyl-5-nitroimidazol-4-amine
CID 113338968
N-[2-(cyclopropylmethoxy)ethyl]-3-methyl-5-nitroimidazol-4-amine
CID 113233506
4-[(3-methyl-5-nitroimidazol-4-yl)amino]butanoic acid
CID 15384546
ethyl 3-[(3-methyl-5-nitroimidazol-4-yl)amino]propanoate
CID 47439641
3-methyl-N-(3-methylbut-2-enyl)-5-nitroimidazol-4-amine
CID 103525339
3-methyl-N-(2-naphthalen-2-yloxyethyl)-5-nitroimidazol-4-amine
CID 40729024
N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitroimidazol-4-amine
CID 63238026
N-[2-(azepan-1-yl)ethyl]-3-methyl-5-nitroimidazol-4-amine
CID 32878153
2-[(3-methyl-5-nitroimidazol-4-yl)amino]propane-1,3-diol
CID 65314028
N-but-2-ynyl-3-methyl-5-nitroimidazol-4-amine
CID 115903968
N-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethyl]-2-phenoxyacetamide
CID 36790213
N-tert-butyl-2-[(3-methyl-5-nitroimidazol-4-yl)amino]acetamide
CID 18095809

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethoxy]ethanol (CID 60677592) is 2-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethoxy]ethanol is Cn1cnc([N+](=O)[O-])c1NCCOCCO.
What is the InChIKey of 2-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethoxy]ethanol?
The InChIKey is IQACOSJOFYLDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4/c1-11-6-10-8(12(14)15)7(11)9-2-4-16-5-3-13/h6,9,13H,2-5H2,1H3.
What are the key properties of 2-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethoxy]ethanol?
2-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethoxy]ethanol has a molecular weight of 230.22 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 60677592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).