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

C20H17N3OS — CID 59388191

IUPAC2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccs1
InChIInChI=1S/C20H17N3OS/c21-19-22-20(15-8-3-1-4-9-15,16-10-5-2-6-11-16)18(24)23(19)14-17-12-7-13-25-17/h1-13H,14H2,(H2,21,22)
InChIKeyWUHPWDUNLIERPN-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.35
Rot. Bonds4

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

2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one (PubChem CID 59388191) 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-2-ylmethyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one
PubChem CID59388191
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccs1
InChIInChI=1S/C20H17N3OS/c21-19-22-20(15-8-3-1-4-9-15,16-10-5-2-6-11-16)18(24)23(19)14-17-12-7-13-25-17/h1-13H,14H2,(H2,21,22)
InChIKeyWUHPWDUNLIERPN-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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Related Compounds

2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2691233
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 4266964
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 16297290
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 16327577
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,2-diphenylacetamide
CID 4782981
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 16291766
(2S)-2-amino-2-phenyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 172455653
N-[(4-fluorophenyl)methyl]-5-[(2-imino-5-oxo-4,4-diphenyl-imidazolidin-1-yl)methyl]-N-methyl-thiophene-3-carboxamide
CID 135154469
2-{[1,1'-biphenyl]-4-yl}-N-[2-(pyrrolidin-1-yl)-2-(thiophen-3-yl)ethyl]acetamide
CID 16931574
(6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one
CID 59386913
(6S)-2-amino-6-[4-(3,5-difluorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11681549
2-amino-6-(3-fluorobenzoyl)-3-methyl-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CID 15947376

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one?
The IUPAC name of 2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one (CID 59388191) is 2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one?
The canonical SMILES for 2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccs1.
What is the InChIKey of 2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one?
The InChIKey is WUHPWDUNLIERPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c21-19-22-20(15-8-3-1-4-9-15,16-10-5-2-6-11-16)18(24)23(19)14-17-12-7-13-25-17/h1-13H,14H2,(H2,21,22).
What are the key properties of 2-amino-5,5-diphenyl-3-(thiophen-2-ylmethyl)imidazol-4-one?
2-amino-5,5-diphenyl-3-(thiophen-2-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-2-ylmethyl)imidazol-4-one is sourced from PubChem (CID 59388191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).