1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol

C11H18N4O4 — CID 11644726

IUPAC1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol
SMILESCc1ncc([N+](=O)[O-])n1CC(O)CN1CCOCC1
InChIInChI=1S/C11H18N4O4/c1-9-12-6-11(15(17)18)14(9)8-10(16)7-13-2-4-19-5-3-13/h6,10,16H,2-5,7-8H2,1H3
InChIKeyGAZGHCHCYRSPIV-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.21
Rot. Bonds5

About 1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol

1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol (PubChem CID 11644726) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol
PubChem CID11644726
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol
SMILESCc1ncc([N+](=O)[O-])n1CC(O)CN1CCOCC1
InChIInChI=1S/C11H18N4O4/c1-9-12-6-11(15(17)18)14(9)8-10(16)7-13-2-4-19-5-3-13/h6,10,16H,2-5,7-8H2,1H3
InChIKeyGAZGHCHCYRSPIV-UHFFFAOYSA-N
XLogP-0.21
TPSA93.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Metronidazole
CID 4173
Secnidazole
CID 71815
Nimorazole
CID 23009
Pimonidazole
CID 50981
Hydroxymetronidazole
CID 121858
Metronidazole Hydrochloride
CID 68592
1-(2-Hydroxy-3-methoxypropyl)-2-methyl-4-nitroimidazole
CID 93412
2-Chloro-alpha-(methoxymethyl)-4-nitro-1H-imidazole-1-ethanol
CID 130668
Isometronidazole
CID 69715
Moxnidazole
CID 9571039
2,4-Dinitroimidazole-1-ethanol
CID 125775
1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole
CID 86063

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol (CID 11644726) is 1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol is Cc1ncc([N+](=O)[O-])n1CC(O)CN1CCOCC1.
What is the InChIKey of 1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is GAZGHCHCYRSPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-9-12-6-11(15(17)18)14(9)8-10(16)7-13-2-4-19-5-3-13/h6,10,16H,2-5,7-8H2,1H3.
What are the key properties of 1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol?
1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 270.29 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 11644726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).