N-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide

C19H14N4O2 — CID 52913893

IUPACN-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H14N4O2/c24-18(16-11-21-17-4-2-1-3-15(16)17)19(25)22-13-5-7-14(8-6-13)23-10-9-20-12-23/h1-12,21H,(H,22,25)
InChIKeyRFJSLRZGYCRKKG-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.17
Rot. Bonds4

About N-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide

N-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 52913893) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID52913893
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC NameN-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H14N4O2/c24-18(16-11-21-17-4-2-1-3-15(16)17)19(25)22-13-5-7-14(8-6-13)23-10-9-20-12-23/h1-12,21H,(H,22,25)
InChIKeyRFJSLRZGYCRKKG-UHFFFAOYSA-N
XLogP3.17
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide (CID 52913893) is N-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(Nc1ccc(-n2ccnc2)cc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is RFJSLRZGYCRKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-18(16-11-21-17-4-2-1-3-15(16)17)19(25)22-13-5-7-14(8-6-13)23-10-9-20-12-23/h1-12,21H,(H,22,25).
What are the key properties of N-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
N-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 330.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 52913893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).