2-hydroxy-N-(3-imidazol-1-ylpropyl)-2,2-diphenylacetamide

C20H21N3O2 — CID 5347104

IUPAC2-hydroxy-N-(3-imidazol-1-ylpropyl)-2,2-diphenylacetamide
SMILESO=C(NCCCn1ccnc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c24-19(22-12-7-14-23-15-13-21-16-23)20(25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13,15-16,25H,7,12,14H2,(H,22,24)
InChIKeyIJAMLNYXUSNSBK-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.33
Rot. Bonds7

About 2-hydroxy-N-(3-imidazol-1-ylpropyl)-2,2-diphenylacetamide

2-hydroxy-N-(3-imidazol-1-ylpropyl)-2,2-diphenylacetamide (PubChem CID 5347104) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-hydroxy-N-(3-imidazol-1-ylpropyl)-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-imidazol-1-ylpropyl)-2,2-diphenylacetamide
PubChem CID5347104
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-hydroxy-N-(3-imidazol-1-ylpropyl)-2,2-diphenylacetamide
SMILESO=C(NCCCn1ccnc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c24-19(22-12-7-14-23-15-13-21-16-23)20(25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13,15-16,25H,7,12,14H2,(H,22,24)
InChIKeyIJAMLNYXUSNSBK-UHFFFAOYSA-N
XLogP2.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-imidazol-1-ylpropyl)-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-(3-imidazol-1-ylpropyl)-2,2-diphenylacetamide (CID 5347104) is 2-hydroxy-N-(3-imidazol-1-ylpropyl)-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-(3-imidazol-1-ylpropyl)-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-(3-imidazol-1-ylpropyl)-2,2-diphenylacetamide is O=C(NCCCn1ccnc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-(3-imidazol-1-ylpropyl)-2,2-diphenylacetamide?
The InChIKey is IJAMLNYXUSNSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19(22-12-7-14-23-15-13-21-16-23)20(25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13,15-16,25H,7,12,14H2,(H,22,24).
What are the key properties of 2-hydroxy-N-(3-imidazol-1-ylpropyl)-2,2-diphenylacetamide?
2-hydroxy-N-(3-imidazol-1-ylpropyl)-2,2-diphenylacetamide has a molecular weight of 335.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-imidazol-1-ylpropyl)-2,2-diphenylacetamide is sourced from PubChem (CID 5347104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).