6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole

C15H15N3OS — CID 124507868

IUPAC6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole
SMILESCc1ccc2nc([S@@](=O)[C@H](C)c3ccccn3)[nH]c2c1
InChIInChI=1S/C15H15N3OS/c1-10-6-7-13-14(9-10)18-15(17-13)20(19)11(2)12-5-3-4-8-16-12/h3-9,11H,1-2H3,(H,17,18)/t11-,20+/m1/s1
InChIKeySTQFFDZUFDSXFN-GIPWTMENSA-N
MW285.37 g/mol
LogP3.14
Rot. Bonds3

About 6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole

6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole (PubChem CID 124507868) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole
PubChem CID124507868
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole
SMILESCc1ccc2nc([S@@](=O)[C@H](C)c3ccccn3)[nH]c2c1
InChIInChI=1S/C15H15N3OS/c1-10-6-7-13-14(9-10)18-15(17-13)20(19)11(2)12-5-3-4-8-16-12/h3-9,11H,1-2H3,(H,17,18)/t11-,20+/m1/s1
InChIKeySTQFFDZUFDSXFN-GIPWTMENSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[(R)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole
CID 124507869
6-ethyl-2-(1-pyridin-2-ylethylsulfinyl)-1H-benzimidazole
CID 13018830
1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol
CID 90177935
6-propan-2-yl-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
CID 13018825
2-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]sulfinyl-1H-benzimidazole
CID 22574501
2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid
CID 116824710
8-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-6-methyl-1,2,3,4-tetrahydroquinoline
CID 54463897
6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole
CID 20680808
2-[1-(1H-benzimidazol-2-ylsulfinyl)ethyl]-N,N-dimethylaniline
CID 67904088
2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole
CID 15059490
6-tert-butyl-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
CID 20518169
N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide
CID 99973307

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole?
The IUPAC name of 6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole (CID 124507868) is 6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole is Cc1ccc2nc([S@@](=O)[C@H](C)c3ccccn3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole?
The InChIKey is STQFFDZUFDSXFN-GIPWTMENSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-6-7-13-14(9-10)18-15(17-13)20(19)11(2)12-5-3-4-8-16-12/h3-9,11H,1-2H3,(H,17,18)/t11-,20+/m1/s1.
What are the key properties of 6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole?
6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole has a molecular weight of 285.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole is sourced from PubChem (CID 124507868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).