2-[2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]acetic acid

C18H18N2O3S — CID 69464619

IUPAC2-[2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]acetic acid
SMILESCC(SC1(CC(=O)O)Nc2ccccc2N1)C(=O)c1ccccc1
InChIInChI=1S/C18H18N2O3S/c1-12(17(23)13-7-3-2-4-8-13)24-18(11-16(21)22)19-14-9-5-6-10-15(14)20-18/h2-10,12,19-20H,11H2,1H3,(H,21,22)
InChIKeyFGGNVADCILDDCH-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.66
Rot. Bonds6

About 2-[2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]acetic acid

2-[2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]acetic acid (PubChem CID 69464619) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]acetic acid
PubChem CID69464619
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-[2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]acetic acid
SMILESCC(SC1(CC(=O)O)Nc2ccccc2N1)C(=O)c1ccccc1
InChIInChI=1S/C18H18N2O3S/c1-12(17(23)13-7-3-2-4-8-13)24-18(11-16(21)22)19-14-9-5-6-10-15(14)20-18/h2-10,12,19-20H,11H2,1H3,(H,21,22)
InChIKeyFGGNVADCILDDCH-UHFFFAOYSA-N
XLogP3.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]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-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]acetic acid?
The IUPAC name of 2-[2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]acetic acid (CID 69464619) is 2-[2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]acetic acid?
The canonical SMILES for 2-[2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]acetic acid is CC(SC1(CC(=O)O)Nc2ccccc2N1)C(=O)c1ccccc1.
What is the InChIKey of 2-[2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]acetic acid?
The InChIKey is FGGNVADCILDDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12(17(23)13-7-3-2-4-8-13)24-18(11-16(21)22)19-14-9-5-6-10-15(14)20-18/h2-10,12,19-20H,11H2,1H3,(H,21,22).
What are the key properties of 2-[2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]acetic acid?
2-[2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]acetic acid has a molecular weight of 342.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,3-dihydrobenzimidazol-2-yl]acetic acid is sourced from PubChem (CID 69464619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).