2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid

C15H12N2O2S — CID 817611

IUPAC2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-14(19)10-20-15-16-12-8-4-5-9-13(12)17(15)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyQJUFLXCQZGILJZ-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.20
Rot. Bonds4

About 2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid

2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid (PubChem CID 817611) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid
PubChem CID817611
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-14(19)10-20-15-16-12-8-4-5-9-13(12)17(15)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyQJUFLXCQZGILJZ-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid (CID 817611) is 2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid is O=C(O)CSc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid?
The InChIKey is QJUFLXCQZGILJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-14(19)10-20-15-16-12-8-4-5-9-13(12)17(15)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19).
What are the key properties of 2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid?
2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid has a molecular weight of 284.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 817611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).