2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde

C18H14N2O3 — CID 139783535

IUPAC2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde
SMILESO=CC(O)(c1ccccc1)c1ccc(C(=O)n2ccnc2)cc1
InChIInChI=1S/C18H14N2O3/c21-12-18(23,15-4-2-1-3-5-15)16-8-6-14(7-9-16)17(22)20-11-10-19-13-20/h1-13,23H
InChIKeySJZMCJWTTKPERB-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.01
Rot. Bonds4

About 2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde

2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde (PubChem CID 139783535) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde
PubChem CID139783535
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde
SMILESO=CC(O)(c1ccccc1)c1ccc(C(=O)n2ccnc2)cc1
InChIInChI=1S/C18H14N2O3/c21-12-18(23,15-4-2-1-3-5-15)16-8-6-14(7-9-16)17(22)20-11-10-19-13-20/h1-13,23H
InChIKeySJZMCJWTTKPERB-UHFFFAOYSA-N
XLogP2.01
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde?
The IUPAC name of 2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde (CID 139783535) is 2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde.
What is the SMILES notation for 2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde?
The canonical SMILES for 2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde is O=CC(O)(c1ccccc1)c1ccc(C(=O)n2ccnc2)cc1.
What is the InChIKey of 2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde?
The InChIKey is SJZMCJWTTKPERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-12-18(23,15-4-2-1-3-5-15)16-8-6-14(7-9-16)17(22)20-11-10-19-13-20/h1-13,23H.
What are the key properties of 2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde?
2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde has a molecular weight of 306.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde is sourced from PubChem (CID 139783535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).