2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole

C15H15N3O2S — CID 163684206

IUPAC2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
SMILESCOc1cc(CS(=O)c2nc3ccccc3[nH]2)ncc1C
InChIInChI=1S/C15H15N3O2S/c1-10-8-16-11(7-14(10)20-2)9-21(19)15-17-12-5-3-4-6-13(12)18-15/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyJNKSRRDNYVYPQA-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.58
Rot. Bonds4

About 2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole

2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole (PubChem CID 163684206) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
PubChem CID163684206
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
SMILESCOc1cc(CS(=O)c2nc3ccccc3[nH]2)ncc1C
InChIInChI=1S/C15H15N3O2S/c1-10-8-16-11(7-14(10)20-2)9-21(19)15-17-12-5-3-4-6-13(12)18-15/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyJNKSRRDNYVYPQA-UHFFFAOYSA-N
XLogP2.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 70481786
2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 70405457
2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 54076152
dicalcium;6-(difluoromethoxy)-2-[(4,5-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 71811241
2-[[5-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 15133683
2-[[4-(difluoromethoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 70279879
2-[[4-(2-ethoxyethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 112758398
2-[(4-methylfuran-3-yl)methylsulfinyl]-1H-benzimidazole
CID 67700268
6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
CID 13018818
2-(1H-benzimidazol-2-ylsulfinylmethyl)-4,6-dimethylaniline
CID 14064700
2-(1H-benzimidazol-2-ylsulfinylmethyl)-3,6-dimethylaniline;hydrate
CID 22394066
5-(1H-benzimidazol-2-ylsulfinylmethyl)pyridin-2-amine;hydrate
CID 22394087

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The IUPAC name of 2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole (CID 163684206) is 2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is COc1cc(CS(=O)c2nc3ccccc3[nH]2)ncc1C.
What is the InChIKey of 2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The InChIKey is JNKSRRDNYVYPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-8-16-11(7-14(10)20-2)9-21(19)15-17-12-5-3-4-6-13(12)18-15/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole has a molecular weight of 301.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 163684206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).