2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole

C14H12N2O2S — CID 70620284

IUPAC2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole
SMILESO=S(=O)(C=C1Nc2ccccc2N1)c1ccccc1
InChIInChI=1S/C14H12N2O2S/c17-19(18,11-6-2-1-3-7-11)10-14-15-12-8-4-5-9-13(12)16-14/h1-10,15-16H
InChIKeyFHWNGNRQOZFDNN-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.80
Rot. Bonds2

About 2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole

2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole (PubChem CID 70620284) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole.

Molecular Properties

Compound Name2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole
PubChem CID70620284
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole
SMILESO=S(=O)(C=C1Nc2ccccc2N1)c1ccccc1
InChIInChI=1S/C14H12N2O2S/c17-19(18,11-6-2-1-3-7-11)10-14-15-12-8-4-5-9-13(12)16-14/h1-10,15-16H
InChIKeyFHWNGNRQOZFDNN-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(113C)ethenylsulfonylbenzene
CID 66995821
4-(benzenesulfonylmethylidene)cyclohexa-2,5-dien-1-one
CID 131848252
diazomethylsulfonylbenzene;hydrazine
CID 161243930
(5E)-5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine
CID 134891737
5-(benzenesulfonylmethylidene)-2H-1,2,4-triazine
CID 71416283
(E)-1-(benzenesulfonyl)prop-1-en-2-ol
CID 118410381
2-(benzenesulfonyl)ethene-1,1-diamine
CID 21311523
2-(benzenesulfonyl)ethenimine
CID 15530554
[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
[2-(benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356
benzenesulfonic acid;manganese
CID 87184776
1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene
CID 78131907

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole?
The IUPAC name of 2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole (CID 70620284) is 2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole.
What is the SMILES notation for 2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole?
The canonical SMILES for 2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole is O=S(=O)(C=C1Nc2ccccc2N1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole?
The InChIKey is FHWNGNRQOZFDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-19(18,11-6-2-1-3-7-11)10-14-15-12-8-4-5-9-13(12)16-14/h1-10,15-16H.
What are the key properties of 2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole?
2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole has a molecular weight of 272.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethylidene)-1,3-dihydrobenzimidazole is sourced from PubChem (CID 70620284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).