2-amino-5-[3-[2-(furan-2-yl)-2-oxoethyl]phenyl]-3-methyl-5-phenylimidazol-4-one

C22H19N3O3 — CID 58425377

IUPAC2-amino-5-[3-[2-(furan-2-yl)-2-oxoethyl]phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(CC(=O)c3ccco3)c2)N=C1N
InChIInChI=1S/C22H19N3O3/c1-25-20(27)22(24-21(25)23,16-8-3-2-4-9-16)17-10-5-7-15(13-17)14-18(26)19-11-6-12-28-19/h2-13H,14H2,1H3,(H2,23,24)
InChIKeyXPBWLQBMWCXBEL-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.74
Rot. Bonds5

About 2-amino-5-[3-[2-(furan-2-yl)-2-oxoethyl]phenyl]-3-methyl-5-phenylimidazol-4-one

2-amino-5-[3-[2-(furan-2-yl)-2-oxoethyl]phenyl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 58425377) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-amino-5-[3-[2-(furan-2-yl)-2-oxoethyl]phenyl]-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-[2-(furan-2-yl)-2-oxoethyl]phenyl]-3-methyl-5-phenylimidazol-4-one
PubChem CID58425377
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-amino-5-[3-[2-(furan-2-yl)-2-oxoethyl]phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(CC(=O)c3ccco3)c2)N=C1N
InChIInChI=1S/C22H19N3O3/c1-25-20(27)22(24-21(25)23,16-8-3-2-4-9-16)17-10-5-7-15(13-17)14-18(26)19-11-6-12-28-19/h2-13H,14H2,1H3,(H2,23,24)
InChIKeyXPBWLQBMWCXBEL-UHFFFAOYSA-N
XLogP2.74
TPSA88.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-[2-(furan-2-yl)-2-oxoethyl]phenyl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-[2-(furan-2-yl)-2-oxoethyl]phenyl]-3-methyl-5-phenylimidazol-4-one (CID 58425377) is 2-amino-5-[3-[2-(furan-2-yl)-2-oxoethyl]phenyl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-[2-(furan-2-yl)-2-oxoethyl]phenyl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-[2-(furan-2-yl)-2-oxoethyl]phenyl]-3-methyl-5-phenylimidazol-4-one is CN1C(=O)C(c2ccccc2)(c2cccc(CC(=O)c3ccco3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-[2-(furan-2-yl)-2-oxoethyl]phenyl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is XPBWLQBMWCXBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-25-20(27)22(24-21(25)23,16-8-3-2-4-9-16)17-10-5-7-15(13-17)14-18(26)19-11-6-12-28-19/h2-13H,14H2,1H3,(H2,23,24).
What are the key properties of 2-amino-5-[3-[2-(furan-2-yl)-2-oxoethyl]phenyl]-3-methyl-5-phenylimidazol-4-one?
2-amino-5-[3-[2-(furan-2-yl)-2-oxoethyl]phenyl]-3-methyl-5-phenylimidazol-4-one has a molecular weight of 373.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-[2-(furan-2-yl)-2-oxoethyl]phenyl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 58425377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).