(3-methyl-2-nitro-1H-imidazol-2-yl)methanol

C5H9N3O3 — CID 67236609

IUPAC(3-methyl-2-nitro-1H-imidazol-2-yl)methanol
SMILESCN1C=CNC1(CO)[N+](=O)[O-]
InChIInChI=1S/C5H9N3O3/c1-7-3-2-6-5(7,4-9)8(10)11/h2-3,6,9H,4H2,1H3
InChIKeyBJJNLNIPZSLZBE-UHFFFAOYSA-N
MW159.15 g/mol
LogP-1.08
Rot. Bonds2

About (3-methyl-2-nitro-1H-imidazol-2-yl)methanol

(3-methyl-2-nitro-1H-imidazol-2-yl)methanol (PubChem CID 67236609) has the molecular formula C5H9N3O3 and a molecular weight of 159.15 g/mol. Its IUPAC name is (3-methyl-2-nitro-1H-imidazol-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-2-nitro-1H-imidazol-2-yl)methanol
PubChem CID67236609
Molecular FormulaC5H9N3O3
Molecular Weight159.15 g/mol
Exact Mass159.06
IUPAC Name(3-methyl-2-nitro-1H-imidazol-2-yl)methanol
SMILESCN1C=CNC1(CO)[N+](=O)[O-]
InChIInChI=1S/C5H9N3O3/c1-7-3-2-6-5(7,4-9)8(10)11/h2-3,6,9H,4H2,1H3
InChIKeyBJJNLNIPZSLZBE-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'}

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Related Compounds

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CID 12350855
2-(1-Methylamino-2-nitro-vinylamino)-ethanol
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1-(2-methyl-2-nitro-1H-imidazol-3-yl)ethanol
CID 17882659
2-[[(E)-1-(aziridin-1-yl)-2-nitroethenyl]amino]ethanol
CID 20398435
(5-bromo-3-methyl-2-nitro-1H-imidazol-2-yl)methanol
CID 69175003
(3-Methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol
CID 70129755
2-{[1-(Aziridin-1-yl)-2-nitroethenyl]amino}ethan-1-ol
CID 71321938
2-(3-methyl-2-nitro-2H-imidazol-1-yl)ethanol
CID 135207421
2-[2-(methoxymethyl)-2-nitro-1H-imidazol-3-yl]ethanol
CID 140968335
2-[[(Z)-1-(aziridin-1-yl)-2-nitroethenyl]amino]ethanol
CID 171377938

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-nitro-1H-imidazol-2-yl)methanol?
The IUPAC name of (3-methyl-2-nitro-1H-imidazol-2-yl)methanol (CID 67236609) is (3-methyl-2-nitro-1H-imidazol-2-yl)methanol.
What is the SMILES notation for (3-methyl-2-nitro-1H-imidazol-2-yl)methanol?
The canonical SMILES for (3-methyl-2-nitro-1H-imidazol-2-yl)methanol is CN1C=CNC1(CO)[N+](=O)[O-].
What is the InChIKey of (3-methyl-2-nitro-1H-imidazol-2-yl)methanol?
The InChIKey is BJJNLNIPZSLZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O3/c1-7-3-2-6-5(7,4-9)8(10)11/h2-3,6,9H,4H2,1H3.
What are the key properties of (3-methyl-2-nitro-1H-imidazol-2-yl)methanol?
(3-methyl-2-nitro-1H-imidazol-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-2-nitro-1H-imidazol-2-yl)methanol is sourced from PubChem (CID 67236609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).