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

C21H19N3O2S — CID 70481786

IUPAC2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
SMILESCc1cnc(CS(=O)c2nc3ccccc3[nH]2)cc1OCc1ccccc1
InChIInChI=1S/C21H19N3O2S/c1-15-12-22-17(11-20(15)26-13-16-7-3-2-4-8-16)14-27(25)21-23-18-9-5-6-10-19(18)24-21/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyAUQRAYZWJAIPIY-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.15
Rot. Bonds6

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

2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole (PubChem CID 70481786) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
PubChem CID70481786
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
SMILESCc1cnc(CS(=O)c2nc3ccccc3[nH]2)cc1OCc1ccccc1
InChIInChI=1S/C21H19N3O2S/c1-15-12-22-17(11-20(15)26-13-16-7-3-2-4-8-16)14-27(25)21-23-18-9-5-6-10-19(18)24-21/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyAUQRAYZWJAIPIY-UHFFFAOYSA-N
XLogP4.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 163684206
2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 70473266
2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 54076152
2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 70405457
2-[[5-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 15133683
5-(1H-benzimidazol-2-ylsulfinylmethyl)pyridin-2-amine;hydrate
CID 22394087
2-[(5-methyl-4-phenylmethoxypyrimidin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 22166910
2-[[4-(difluoromethoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 70279879
2-(1H-benzimidazol-2-ylsulfinylmethyl)-3,6-dimethylaniline;hydrate
CID 22394066
2-(1H-benzimidazol-2-ylsulfinylmethyl)-3,4,5-trimethylaniline;hydrate
CID 87999037
2-[[4-(2-ethoxyethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 112758398
2-[(4-methylfuran-3-yl)methylsulfinyl]-1H-benzimidazole
CID 67700268

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The IUPAC name of 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole (CID 70481786) is 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The canonical SMILES for 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is Cc1cnc(CS(=O)c2nc3ccccc3[nH]2)cc1OCc1ccccc1.
What is the InChIKey of 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The InChIKey is AUQRAYZWJAIPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-15-12-22-17(11-20(15)26-13-16-7-3-2-4-8-16)14-27(25)21-23-18-9-5-6-10-19(18)24-21/h2-12H,13-14H2,1H3,(H,23,24).
What are the key properties of 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole has a molecular weight of 377.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 70481786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).