2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one

C24H20N4O — CID 25063755

IUPAC2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(-c3ccc4[nH]ccc4c3)c2)N=C1N
InChIInChI=1S/C24H20N4O/c1-28-22(29)24(27-23(28)25,19-7-3-2-4-8-19)20-9-5-6-16(15-20)17-10-11-21-18(14-17)12-13-26-21/h2-15,26H,1H3,(H2,25,27)
InChIKeyXVCSXARHWFDJFE-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.87
Rot. Bonds3

About 2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one

2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 25063755) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one
PubChem CID25063755
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(-c3ccc4[nH]ccc4c3)c2)N=C1N
InChIInChI=1S/C24H20N4O/c1-28-22(29)24(27-23(28)25,19-7-3-2-4-8-19)20-9-5-6-16(15-20)17-10-11-21-18(14-17)12-13-26-21/h2-15,26H,1H3,(H2,25,27)
InChIKeyXVCSXARHWFDJFE-UHFFFAOYSA-N
XLogP3.87
TPSA74.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one (CID 25063755) is 2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one is CN1C(=O)C(c2ccccc2)(c2cccc(-c3ccc4[nH]ccc4c3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is XVCSXARHWFDJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-28-22(29)24(27-23(28)25,19-7-3-2-4-8-19)20-9-5-6-16(15-20)17-10-11-21-18(14-17)12-13-26-21/h2-15,26H,1H3,(H2,25,27).
What are the key properties of 2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one?
2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one has a molecular weight of 380.45 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(1H-indol-5-yl)phenyl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 25063755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).