1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol

C13H11N3O2S — CID 90177935

IUPAC1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol
SMILESO=S(c1nc2ccccc2[nH]1)C(O)c1ccccn1
InChIInChI=1S/C13H11N3O2S/c17-12(11-7-3-4-8-14-11)19(18)13-15-9-5-1-2-6-10(9)16-13/h1-8,12,17H,(H,15,16)
InChIKeyMSFVWHRHEAAUHS-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.76
Rot. Bonds3

About 1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol

1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol (PubChem CID 90177935) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol.

Molecular Properties

Compound Name1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol
PubChem CID90177935
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol
SMILESO=S(c1nc2ccccc2[nH]1)C(O)c1ccccn1
InChIInChI=1S/C13H11N3O2S/c17-12(11-7-3-4-8-14-11)19(18)13-15-9-5-1-2-6-10(9)16-13/h1-8,12,17H,(H,15,16)
InChIKeyMSFVWHRHEAAUHS-UHFFFAOYSA-N
XLogP1.76
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]sulfinyl-1H-benzimidazole
CID 22574501
6-ethyl-2-(1-pyridin-2-ylethylsulfinyl)-1H-benzimidazole
CID 13018830
6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole
CID 124507868
6-methyl-2-[(R)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole
CID 124507869
1-(1H-benzimidazol-2-ylsulfinyl)hexan-1-ol
CID 173250102
1H-benzimidazole-2-sulfinate
CID 23000784
N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine
CID 60724163
2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline
CID 67904088
2-(1H-benzimidazol-2-ylsulfinyl)-3-methylaniline
CID 67817601
2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole
CID 19866725
3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 43045567
8-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-6-methyl-1,2,3,4-tetrahydroquinoline
CID 54463897

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol?
The IUPAC name of 1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol (CID 90177935) is 1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol.
What is the SMILES notation for 1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol?
The canonical SMILES for 1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol is O=S(c1nc2ccccc2[nH]1)C(O)c1ccccn1.
What is the InChIKey of 1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol?
The InChIKey is MSFVWHRHEAAUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c17-12(11-7-3-4-8-14-11)19(18)13-15-9-5-1-2-6-10(9)16-13/h1-8,12,17H,(H,15,16).
What are the key properties of 1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol?
1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol has a molecular weight of 273.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol is sourced from PubChem (CID 90177935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).