2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one

C24H23N3O2 — CID 25063486

IUPAC2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCCOc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C24H23N3O2/c1-3-29-21-14-8-10-18(16-21)17-9-7-13-20(15-17)24(19-11-5-4-6-12-19)22(28)27(2)23(25)26-24/h4-16H,3H2,1-2H3,(H2,25,26)
InChIKeyRSZKDIKHNMINHT-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.78
Rot. Bonds5

About 2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one

2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 25063486) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
PubChem CID25063486
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCCOc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C24H23N3O2/c1-3-29-21-14-8-10-18(16-21)17-9-7-13-20(15-17)24(19-11-5-4-6-12-19)22(28)27(2)23(25)26-24/h4-16H,3H2,1-2H3,(H2,25,26)
InChIKeyRSZKDIKHNMINHT-UHFFFAOYSA-N
XLogP3.78
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one (CID 25063486) is 2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one is CCOc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1.
What is the InChIKey of 2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is RSZKDIKHNMINHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-3-29-21-14-8-10-18(16-21)17-9-7-13-20(15-17)24(19-11-5-4-6-12-19)22(28)27(2)23(25)26-24/h4-16H,3H2,1-2H3,(H2,25,26).
What are the key properties of 2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one has a molecular weight of 385.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 25063486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).