1-methyl-2-(3-nitrophenyl)imidazol-4-ol

C10H9N3O3 — CID 106952341

IUPAC1-methyl-2-(3-nitrophenyl)imidazol-4-ol
SMILESCn1cc(O)nc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H9N3O3/c1-12-6-9(14)11-10(12)7-3-2-4-8(5-7)13(15)16/h2-6,14H,1H3
InChIKeyAPHUQTQRNJFWKJ-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.70
Rot. Bonds2

About 1-methyl-2-(3-nitrophenyl)imidazol-4-ol

1-methyl-2-(3-nitrophenyl)imidazol-4-ol (PubChem CID 106952341) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 1-methyl-2-(3-nitrophenyl)imidazol-4-ol.

Molecular Properties

Compound Name1-methyl-2-(3-nitrophenyl)imidazol-4-ol
PubChem CID106952341
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name1-methyl-2-(3-nitrophenyl)imidazol-4-ol
SMILESCn1cc(O)nc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H9N3O3/c1-12-6-9(14)11-10(12)7-3-2-4-8(5-7)13(15)16/h2-6,14H,1H3
InChIKeyAPHUQTQRNJFWKJ-UHFFFAOYSA-N
XLogP1.70
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
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

1,4-dimethyl-2-(3-nitrophenyl)imidazole
CID 174565698
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
3-(chloromethyl)-4-ethyl-5-(3-nitrophenyl)-1,2,4-triazole
CID 115398128
3-ethyl-5-(3-nitrophenyl)-1,3-oxazol-2-one
CID 154683486
nitric acid;4-(3-nitrophenyl)pyridine
CID 71334650
2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol
CID 158238008
4-(4-methylphenyl)-3,5-bis(3-nitrophenyl)-1,2,4-triazole
CID 135062809
1-methyl-3-nitrobenzene
CID 7422
[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 46220572
3-(3-nitrophenyl)-4-pentyl-1H-1,2,4-triazole-5-thione
CID 165350812
1-(2-methylpropyl)-2-(3-nitrophenyl)benzimidazole
CID 146024319
2-butan-2-yl-4-methyl-6-(3-nitrophenyl)pyrrolo[3,4-c]pyridin-3-ol
CID 137147857

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-nitrophenyl)imidazol-4-ol?
The IUPAC name of 1-methyl-2-(3-nitrophenyl)imidazol-4-ol (CID 106952341) is 1-methyl-2-(3-nitrophenyl)imidazol-4-ol.
What is the SMILES notation for 1-methyl-2-(3-nitrophenyl)imidazol-4-ol?
The canonical SMILES for 1-methyl-2-(3-nitrophenyl)imidazol-4-ol is Cn1cc(O)nc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-methyl-2-(3-nitrophenyl)imidazol-4-ol?
The InChIKey is APHUQTQRNJFWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-12-6-9(14)11-10(12)7-3-2-4-8(5-7)13(15)16/h2-6,14H,1H3.
What are the key properties of 1-methyl-2-(3-nitrophenyl)imidazol-4-ol?
1-methyl-2-(3-nitrophenyl)imidazol-4-ol has a molecular weight of 219.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-nitrophenyl)imidazol-4-ol is sourced from PubChem (CID 106952341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).