1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole

C8H14N2O — CID 86155423

IUPAC1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole
SMILESCc1nc(CC(C)C)cn1O
InChIInChI=1S/C8H14N2O/c1-6(2)4-8-5-10(11)7(3)9-8/h5-6,11H,4H2,1-3H3
InChIKeyXFDRIRWSUIIDAH-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.63
Rot. Bonds2

About 1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole

1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole (PubChem CID 86155423) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole.

Molecular Properties

Compound Name1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole
PubChem CID86155423
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole
SMILESCc1nc(CC(C)C)cn1O
InChIInChI=1S/C8H14N2O/c1-6(2)4-8-5-10(11)7(3)9-8/h5-6,11H,4H2,1-3H3
InChIKeyXFDRIRWSUIIDAH-UHFFFAOYSA-N
XLogP1.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 58592811
1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde
CID 84652474
1-hydroxy-4-methoxy-2-methylimidazole
CID 91365586
[2-(2-methylpropyl)imidazo[1,2-a]pyridin-8-yl]methanamine
CID 117137507
2,3-dimethyl-5-(2-methylpropyl)pyrazine
CID 528108
[2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 117135250
5-(2-methylpropyl)-1,2,4-triazin-3-amine
CID 105429780
2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid
CID 57437203
2-(dimethylamino)-3-(1,2-dimethylimidazol-4-yl)propanoic acid
CID 118540409
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid
CID 116896338
2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136932085
5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 71996931

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole?
The IUPAC name of 1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole (CID 86155423) is 1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole.
What is the SMILES notation for 1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole?
The canonical SMILES for 1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole is Cc1nc(CC(C)C)cn1O.
What is the InChIKey of 1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole?
The InChIKey is XFDRIRWSUIIDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)4-8-5-10(11)7(3)9-8/h5-6,11H,4H2,1-3H3.
What are the key properties of 1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole?
1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole has a molecular weight of 154.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methyl-4-(2-methylpropyl)imidazole is sourced from PubChem (CID 86155423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).