formaldehyde;4-phenyl-1H-benzimidazole-2-sulfonic acid

C14H12N2O4S — CID 162190572

IUPACformaldehyde;4-phenyl-1H-benzimidazole-2-sulfonic acid
SMILESC=O.O=S(=O)(O)c1nc2c(-c3ccccc3)cccc2[nH]1
InChIInChI=1S/C13H10N2O3S.CH2O/c16-19(17,18)13-14-11-8-4-7-10(12(11)15-13)9-5-2-1-3-6-9;1-2/h1-8H,(H,14,15)(H,16,17,18);1H2
InChIKeyZQGAHDTVGNIJFJ-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.29
Rot. Bonds2

About formaldehyde;4-phenyl-1H-benzimidazole-2-sulfonic acid

formaldehyde;4-phenyl-1H-benzimidazole-2-sulfonic acid (PubChem CID 162190572) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is formaldehyde;4-phenyl-1H-benzimidazole-2-sulfonic acid.

Molecular Properties

Compound Nameformaldehyde;4-phenyl-1H-benzimidazole-2-sulfonic acid
PubChem CID162190572
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Nameformaldehyde;4-phenyl-1H-benzimidazole-2-sulfonic acid
SMILESC=O.O=S(=O)(O)c1nc2c(-c3ccccc3)cccc2[nH]1
InChIInChI=1S/C13H10N2O3S.CH2O/c16-19(17,18)13-14-11-8-4-7-10(12(11)15-13)9-5-2-1-3-6-9;1-2/h1-8H,(H,14,15)(H,16,17,18);1H2
InChIKeyZQGAHDTVGNIJFJ-UHFFFAOYSA-N
XLogP2.29
TPSA100.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;4-phenyl-1H-benzimidazole-2-sulfonic acid?
The IUPAC name of formaldehyde;4-phenyl-1H-benzimidazole-2-sulfonic acid (CID 162190572) is formaldehyde;4-phenyl-1H-benzimidazole-2-sulfonic acid.
What is the SMILES notation for formaldehyde;4-phenyl-1H-benzimidazole-2-sulfonic acid?
The canonical SMILES for formaldehyde;4-phenyl-1H-benzimidazole-2-sulfonic acid is C=O.O=S(=O)(O)c1nc2c(-c3ccccc3)cccc2[nH]1.
What is the InChIKey of formaldehyde;4-phenyl-1H-benzimidazole-2-sulfonic acid?
The InChIKey is ZQGAHDTVGNIJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S.CH2O/c16-19(17,18)13-14-11-8-4-7-10(12(11)15-13)9-5-2-1-3-6-9;1-2/h1-8H,(H,14,15)(H,16,17,18);1H2.
What are the key properties of formaldehyde;4-phenyl-1H-benzimidazole-2-sulfonic acid?
formaldehyde;4-phenyl-1H-benzimidazole-2-sulfonic acid has a molecular weight of 304.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;4-phenyl-1H-benzimidazole-2-sulfonic acid is sourced from PubChem (CID 162190572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).