2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetic acid

C15H12N2O2S — CID 4235566

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetic acid
SMILESO=C(O)C(Sc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-14(19)13(10-6-2-1-3-7-10)20-15-16-11-8-4-5-9-12(11)17-15/h1-9,13H,(H,16,17)(H,18,19)
InChIKeyBVDVEYISIGMGFG-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.48
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetic acid

2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetic acid (PubChem CID 4235566) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetic acid
PubChem CID4235566
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetic acid
SMILESO=C(O)C(Sc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-14(19)13(10-6-2-1-3-7-10)20-15-16-11-8-4-5-9-12(11)17-15/h1-9,13H,(H,16,17)(H,18,19)
InChIKeyBVDVEYISIGMGFG-UHFFFAOYSA-N
XLogP3.48
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetic acid?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetic acid (CID 4235566) is 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetic acid.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetic acid?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetic acid is O=C(O)C(Sc1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetic acid?
The InChIKey is BVDVEYISIGMGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-14(19)13(10-6-2-1-3-7-10)20-15-16-11-8-4-5-9-12(11)17-15/h1-9,13H,(H,16,17)(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetic acid?
2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetic acid has a molecular weight of 284.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetic acid is sourced from PubChem (CID 4235566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).