(3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol

C5H9N3O3 — CID 70129755

IUPAC(3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol
SMILESCN1C=C([N+](=O)[O-])NC1CO
InChIInChI=1S/C5H9N3O3/c1-7-2-4(8(10)11)6-5(7)3-9/h2,5-6,9H,3H2,1H3
InChIKeyJEIKAUDIYIAQTE-UHFFFAOYSA-N
MW159.15 g/mol
LogP-1.08
Rot. Bonds2

About (3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol

(3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol (PubChem CID 70129755) has the molecular formula C5H9N3O3 and a molecular weight of 159.15 g/mol. Its IUPAC name is (3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol
PubChem CID70129755
Molecular FormulaC5H9N3O3
Molecular Weight159.15 g/mol
Exact Mass159.06
IUPAC Name(3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol
SMILESCN1C=C([N+](=O)[O-])NC1CO
InChIInChI=1S/C5H9N3O3/c1-7-2-4(8(10)11)6-5(7)3-9/h2,5-6,9H,3H2,1H3
InChIKeyJEIKAUDIYIAQTE-UHFFFAOYSA-N
XLogP-1.08
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[(E)-2-(Nitromethylidene)imidazolidin-1-yl]ethanol
CID 10374891
1,1-Di(2-hydroxyethylamino)-2-nitroethylene
CID 12350855
2-(1-Methylamino-2-nitro-vinylamino)-ethanol
CID 86020896
1-(2-methyl-2-nitro-1H-imidazol-3-yl)ethanol
CID 17882659
2-(2,3-dimethyl-4-nitro-1H-imidazol-2-yl)ethanol
CID 20194038
2-[[(E)-1-(aziridin-1-yl)-2-nitroethenyl]amino]ethanol
CID 20398435
(3-methyl-2-nitro-1H-imidazol-2-yl)methanol
CID 67236609
(5-bromo-3-methyl-2-nitro-1H-imidazol-2-yl)methanol
CID 69175003
2-{[1-(Aziridin-1-yl)-2-nitroethenyl]amino}ethan-1-ol
CID 71321938
2-[2-(Nitromethylidene)imidazolidin-1-yl]ethan-1-ol
CID 71394901
2-(3-methyl-2,5-dinitro-2H-imidazol-1-yl)ethanol
CID 87639249
(3-Methyl-2-nitro-1,2-dihydroimidazol-4-yl)methanol
CID 118983485

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol?
The IUPAC name of (3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol (CID 70129755) is (3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol.
What is the SMILES notation for (3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol?
The canonical SMILES for (3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol is CN1C=C([N+](=O)[O-])NC1CO.
What is the InChIKey of (3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol?
The InChIKey is JEIKAUDIYIAQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O3/c1-7-2-4(8(10)11)6-5(7)3-9/h2,5-6,9H,3H2,1H3.
What are the key properties of (3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol?
(3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol has a molecular weight of 159.15 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol is sourced from PubChem (CID 70129755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).