N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide

C7H10N4O4 — CID 3276

IUPACN-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1[N+](=O)[O-])NCCO
InChIInChI=1S/C7H10N4O4/c12-4-2-8-6(13)5-10-3-1-9-7(10)11(14)15/h1,3,12H,2,4-5H2,(H,8,13)
InChIKeyWCDWBPCFGJXFJZ-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.10
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide

N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide (PubChem CID 3276) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide
PubChem CID3276
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC NameN-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1[N+](=O)[O-])NCCO
InChIInChI=1S/C7H10N4O4/c12-4-2-8-6(13)5-10-3-1-9-7(10)11(14)15/h1,3,12H,2,4-5H2,(H,8,13)
InChIKeyWCDWBPCFGJXFJZ-UHFFFAOYSA-N
XLogP-1.10
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-Bis(2-hydroxyethyl)-2-nitro-1H-imidazole-1-acetamide
CID 92390
alpha,alpha-Difluoro-N-(2-hydroxyethyl)-2-nitro-1H-imidazole-1-propanamide
CID 366729
Kin 806
CID 202481
N-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide
CID 10220197
SR-4554
CID 9882197
SR 2530
CID 100010
2-Nitroimidazole-1-acetohydroxamic acid
CID 159484
1H-Imidazole-1-acetamide, N-hydroxy-2-nitro-, monopotassium salt
CID 3078226
N-(2-Fluoroethyl)-2-(2-nitro-1H-imidazol-1-yl)acetamide
CID 5284660
N-(3-hydroxypropyl)-2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetamide
CID 3489205
Rsu 1137
CID 127336
2-(2-Nitroimidazol-1-yl)-n-(3,3,3-trifluoropropyl)acetamide
CID 9993055

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide (CID 3276) is N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide is O=C(Cn1ccnc1[N+](=O)[O-])NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide?
The InChIKey is WCDWBPCFGJXFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c12-4-2-8-6(13)5-10-3-1-9-7(10)11(14)15/h1,3,12H,2,4-5H2,(H,8,13).
What are the key properties of N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide?
N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide has a molecular weight of 214.18 g/mol, XLogP of -1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 3276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).