1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde

C14H16N2O2 — CID 87085677

IUPAC1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde
SMILESCC(C)(O)Cn1cc(-c2ccccc2)nc1C=O
InChIInChI=1S/C14H16N2O2/c1-14(2,18)10-16-8-12(15-13(16)9-17)11-6-4-3-5-7-11/h3-9,18H,10H2,1-2H3
InChIKeyGHPFQGHYIYPIAJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.13
Rot. Bonds4

About 1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde

1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde (PubChem CID 87085677) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde
PubChem CID87085677
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde
SMILESCC(C)(O)Cn1cc(-c2ccccc2)nc1C=O
InChIInChI=1S/C14H16N2O2/c1-14(2,18)10-16-8-12(15-13(16)9-17)11-6-4-3-5-7-11/h3-9,18H,10H2,1-2H3
InChIKeyGHPFQGHYIYPIAJ-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde (CID 87085677) is 1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde is CC(C)(O)Cn1cc(-c2ccccc2)nc1C=O.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde?
The InChIKey is GHPFQGHYIYPIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(2,18)10-16-8-12(15-13(16)9-17)11-6-4-3-5-7-11/h3-9,18H,10H2,1-2H3.
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde?
1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde has a molecular weight of 244.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde is sourced from PubChem (CID 87085677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).