1-phenylbenzimidazole-2-sulfonic acid

C13H10N2O3S — CID 2772410

IUPAC1-phenylbenzimidazole-2-sulfonic acid
SMILESO=S(=O)(O)c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C13H10N2O3S/c16-19(17,18)13-14-11-8-4-5-9-12(11)15(13)10-6-2-1-3-7-10/h1-9H,(H,16,17,18)
InChIKeyZPZMSBNVTPNGHW-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.27
Rot. Bonds2

About 1-phenylbenzimidazole-2-sulfonic acid

1-phenylbenzimidazole-2-sulfonic acid (PubChem CID 2772410) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-phenylbenzimidazole-2-sulfonic acid.

Molecular Properties

Compound Name1-phenylbenzimidazole-2-sulfonic acid
PubChem CID2772410
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name1-phenylbenzimidazole-2-sulfonic acid
SMILESO=S(=O)(O)c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C13H10N2O3S/c16-19(17,18)13-14-11-8-4-5-9-12(11)15(13)10-6-2-1-3-7-10/h1-9H,(H,16,17,18)
InChIKeyZPZMSBNVTPNGHW-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-sulfanylbenzimidazole-2-sulfonic acid
CID 87241928
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
1-phenacylbenzimidazole-2-sulfonic acid
CID 142758042
2-chloro-1-phenylbenzimidazole
CID 12675133
2-bromo-1-phenylbenzimidazole
CID 84810012
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate;1-phenylbenzimidazole-2-sulfonic acid
CID 87069226
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
3-amino-1-phenylquinoxalin-2-one
CID 19045865
2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide
CID 56789277
lithium 2-(1-phenylbenzimidazol-2-yl)phenolate
CID 118618865
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246

Frequently Asked Questions

What is the IUPAC name of 1-phenylbenzimidazole-2-sulfonic acid?
The IUPAC name of 1-phenylbenzimidazole-2-sulfonic acid (CID 2772410) is 1-phenylbenzimidazole-2-sulfonic acid.
What is the SMILES notation for 1-phenylbenzimidazole-2-sulfonic acid?
The canonical SMILES for 1-phenylbenzimidazole-2-sulfonic acid is O=S(=O)(O)c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 1-phenylbenzimidazole-2-sulfonic acid?
The InChIKey is ZPZMSBNVTPNGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c16-19(17,18)13-14-11-8-4-5-9-12(11)15(13)10-6-2-1-3-7-10/h1-9H,(H,16,17,18).
What are the key properties of 1-phenylbenzimidazole-2-sulfonic acid?
1-phenylbenzimidazole-2-sulfonic acid has a molecular weight of 274.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbenzimidazole-2-sulfonic acid is sourced from PubChem (CID 2772410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).