2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one

C22H19N3O2S — CID 146716425

IUPAC2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(CC(=O)c3cccs3)c2)N=C1N
InChIInChI=1S/C22H19N3O2S/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)
InChIKeyRDPGREGLJNYBSF-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.20
Rot. Bonds5

About 2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one

2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one (PubChem CID 146716425) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one
PubChem CID146716425
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(CC(=O)c3cccs3)c2)N=C1N
InChIInChI=1S/C22H19N3O2S/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)
InChIKeyRDPGREGLJNYBSF-UHFFFAOYSA-N
XLogP3.20
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide
CID 59388330
3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide
CID 25063752
2-amino-5-(4-hydroxyphenyl)-3-methyl-5-phenylimidazol-4-one
CID 70867323
N-[3-[(4R)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]furan-2-carboxamide
CID 137348435
2-amino-5-[3-(aminomethyl)phenyl]-5-(3-bromophenyl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid
CID 174572032
2-amino-3,6-dimethyl-6-[3-(2-oxo-2-thieno[3,2-b]thiophen-5-ylethyl)phenyl]-5H-pyrimidin-4-one
CID 58449125
2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one
CID 59772728
2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one;methane
CID 158519344
2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one
CID 16750320
2-amino-3,6-dimethyl-6-[3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one
CID 58448766
2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 163906937
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3-hydroxybutyl)phenyl]-3-methylimidazol-4-one
CID 67565324

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one (CID 146716425) is 2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one is CN1C(=O)C(c2ccccc2)(c2cccc(CC(=O)c3cccs3)c2)N=C1N.
What is the InChIKey of 2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one?
The InChIKey is RDPGREGLJNYBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/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-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one?
2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one has a molecular weight of 389.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one is sourced from PubChem (CID 146716425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).