2-amino-5,5-diphenyl-3-(thiophen-3-ylmethyl)imidazol-4-one

C20H17N3OS — CID 59387483

IUPAC2-amino-5,5-diphenyl-3-(thiophen-3-ylmethyl)imidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccsc1
InChIInChI=1S/C20H17N3OS/c21-19-22-20(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18(24)23(19)13-15-11-12-25-14-15/h1-12,14H,13H2,(H2,21,22)
InChIKeyJQVJBXFUSJFIOJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.35
Rot. Bonds4

About 2-amino-5,5-diphenyl-3-(thiophen-3-ylmethyl)imidazol-4-one

2-amino-5,5-diphenyl-3-(thiophen-3-ylmethyl)imidazol-4-one (PubChem CID 59387483) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-amino-5,5-diphenyl-3-(thiophen-3-ylmethyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5,5-diphenyl-3-(thiophen-3-ylmethyl)imidazol-4-one
PubChem CID59387483
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-amino-5,5-diphenyl-3-(thiophen-3-ylmethyl)imidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccsc1
InChIInChI=1S/C20H17N3OS/c21-19-22-20(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18(24)23(19)13-15-11-12-25-14-15/h1-12,14H,13H2,(H2,21,22)
InChIKeyJQVJBXFUSJFIOJ-UHFFFAOYSA-N
XLogP3.35
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-diphenyl-3-(thiophen-3-ylmethyl)imidazol-4-one?
The IUPAC name of 2-amino-5,5-diphenyl-3-(thiophen-3-ylmethyl)imidazol-4-one (CID 59387483) is 2-amino-5,5-diphenyl-3-(thiophen-3-ylmethyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5,5-diphenyl-3-(thiophen-3-ylmethyl)imidazol-4-one?
The canonical SMILES for 2-amino-5,5-diphenyl-3-(thiophen-3-ylmethyl)imidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccsc1.
What is the InChIKey of 2-amino-5,5-diphenyl-3-(thiophen-3-ylmethyl)imidazol-4-one?
The InChIKey is JQVJBXFUSJFIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c21-19-22-20(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18(24)23(19)13-15-11-12-25-14-15/h1-12,14H,13H2,(H2,21,22).
What are the key properties of 2-amino-5,5-diphenyl-3-(thiophen-3-ylmethyl)imidazol-4-one?
2-amino-5,5-diphenyl-3-(thiophen-3-ylmethyl)imidazol-4-one has a molecular weight of 347.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-diphenyl-3-(thiophen-3-ylmethyl)imidazol-4-one is sourced from PubChem (CID 59387483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).