N-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2-oxoacetamide

C16H16N4O2 — CID 7080788

IUPACN-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCCCn1ccnc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H16N4O2/c21-15(13-10-19-14-5-2-1-4-12(13)14)16(22)18-6-3-8-20-9-7-17-11-20/h1-2,4-5,7,9-11,19H,3,6,8H2,(H,18,22)
InChIKeySFJHXSHUJDZEIR-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.75
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2-oxoacetamide

N-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 7080788) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID7080788
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCCCn1ccnc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H16N4O2/c21-15(13-10-19-14-5-2-1-4-12(13)14)16(22)18-6-3-8-20-9-7-17-11-20/h1-2,4-5,7,9-11,19H,3,6,8H2,(H,18,22)
InChIKeySFJHXSHUJDZEIR-UHFFFAOYSA-N
XLogP1.75
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2-oxoacetamide (CID 7080788) is N-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(NCCCn1ccnc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is SFJHXSHUJDZEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15(13-10-19-14-5-2-1-4-12(13)14)16(22)18-6-3-8-20-9-7-17-11-20/h1-2,4-5,7,9-11,19H,3,6,8H2,(H,18,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
N-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 296.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 7080788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).