(5-methyl-2-nitro-1H-imidazol-4-yl)methanol

C5H7N3O3 — CID 68968506

IUPAC(5-methyl-2-nitro-1H-imidazol-4-yl)methanol
SMILESCc1[nH]c([N+](=O)[O-])nc1CO
InChIInChI=1S/C5H7N3O3/c1-3-4(2-9)7-5(6-3)8(10)11/h9H,2H2,1H3,(H,6,7)
InChIKeyNQUUXKIFXGKMAF-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.12
Rot. Bonds2

About (5-methyl-2-nitro-1H-imidazol-4-yl)methanol

(5-methyl-2-nitro-1H-imidazol-4-yl)methanol (PubChem CID 68968506) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is (5-methyl-2-nitro-1H-imidazol-4-yl)methanol.

Molecular Properties

Compound Name(5-methyl-2-nitro-1H-imidazol-4-yl)methanol
PubChem CID68968506
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name(5-methyl-2-nitro-1H-imidazol-4-yl)methanol
SMILESCc1[nH]c([N+](=O)[O-])nc1CO
InChIInChI=1S/C5H7N3O3/c1-3-4(2-9)7-5(6-3)8(10)11/h9H,2H2,1H3,(H,6,7)
InChIKeyNQUUXKIFXGKMAF-UHFFFAOYSA-N
XLogP0.12
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-nitro-1H-imidazol-4-yl)methanol?
The IUPAC name of (5-methyl-2-nitro-1H-imidazol-4-yl)methanol (CID 68968506) is (5-methyl-2-nitro-1H-imidazol-4-yl)methanol.
What is the SMILES notation for (5-methyl-2-nitro-1H-imidazol-4-yl)methanol?
The canonical SMILES for (5-methyl-2-nitro-1H-imidazol-4-yl)methanol is Cc1[nH]c([N+](=O)[O-])nc1CO.
What is the InChIKey of (5-methyl-2-nitro-1H-imidazol-4-yl)methanol?
The InChIKey is NQUUXKIFXGKMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c1-3-4(2-9)7-5(6-3)8(10)11/h9H,2H2,1H3,(H,6,7).
What are the key properties of (5-methyl-2-nitro-1H-imidazol-4-yl)methanol?
(5-methyl-2-nitro-1H-imidazol-4-yl)methanol has a molecular weight of 157.13 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-nitro-1H-imidazol-4-yl)methanol is sourced from PubChem (CID 68968506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).