4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one

C19H16N4O2 — CID 112526275

IUPAC4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one
SMILESNc1cccc2c1ccn2C(=O)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H16N4O2/c20-15-7-4-8-16-14(15)9-10-22(16)18(24)17-11-21-19(25)23(17)12-13-5-2-1-3-6-13/h1-11H,12,20H2,(H,21,25)
InChIKeyATPLEXJFYQJDNN-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.45
Rot. Bonds3

About 4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one

4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one (PubChem CID 112526275) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one
PubChem CID112526275
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one
SMILESNc1cccc2c1ccn2C(=O)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H16N4O2/c20-15-7-4-8-16-14(15)9-10-22(16)18(24)17-11-21-19(25)23(17)12-13-5-2-1-3-6-13/h1-11H,12,20H2,(H,21,25)
InChIKeyATPLEXJFYQJDNN-UHFFFAOYSA-N
XLogP2.45
TPSA85.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one?
The IUPAC name of 4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one (CID 112526275) is 4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one.
What is the SMILES notation for 4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one?
The canonical SMILES for 4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one is Nc1cccc2c1ccn2C(=O)c1c[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one?
The InChIKey is ATPLEXJFYQJDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c20-15-7-4-8-16-14(15)9-10-22(16)18(24)17-11-21-19(25)23(17)12-13-5-2-1-3-6-13/h1-11H,12,20H2,(H,21,25).
What are the key properties of 4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one?
4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one has a molecular weight of 332.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one is sourced from PubChem (CID 112526275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).