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

C20H19N3O3S — CID 11740568

IUPAC2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C20H19N3O3S/c1-23(12-17(25)26)16(24)13-27-20-21-18(14-8-4-2-5-9-14)19(22-20)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,21,22)(H,25,26)
InChIKeyAOOJHIFNVDIOPO-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.38
Rot. Bonds7

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

2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid (PubChem CID 11740568) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid
PubChem CID11740568
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C20H19N3O3S/c1-23(12-17(25)26)16(24)13-27-20-21-18(14-8-4-2-5-9-14)19(22-20)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,21,22)(H,25,26)
InChIKeyAOOJHIFNVDIOPO-UHFFFAOYSA-N
XLogP3.38
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid (CID 11740568) is 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid?
The InChIKey is AOOJHIFNVDIOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-23(12-17(25)26)16(24)13-27-20-21-18(14-8-4-2-5-9-14)19(22-20)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,21,22)(H,25,26).
What are the key properties of 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid?
2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid has a molecular weight of 381.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid is sourced from PubChem (CID 11740568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).