2-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid

C17H14N2O3S — CID 15321057

IUPAC2-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid
SMILESO=C(O)CSC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1
InChIInChI=1S/C17H14N2O3S/c20-14(21)11-23-16-18-15(22)17(19-16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,20,21)(H,18,19,22)
InChIKeyDBDBICPCSZOXRQ-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.23
Rot. Bonds4

About 2-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid

2-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid (PubChem CID 15321057) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid
PubChem CID15321057
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name2-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid
SMILESO=C(O)CSC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1
InChIInChI=1S/C17H14N2O3S/c20-14(21)11-23-16-18-15(22)17(19-16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,20,21)(H,18,19,22)
InChIKeyDBDBICPCSZOXRQ-UHFFFAOYSA-N
XLogP2.23
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid (CID 15321057) is 2-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid is O=C(O)CSC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1.
What is the InChIKey of 2-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid?
The InChIKey is DBDBICPCSZOXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-14(21)11-23-16-18-15(22)17(19-16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,20,21)(H,18,19,22).
What are the key properties of 2-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid?
2-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid has a molecular weight of 326.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 15321057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).