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

C21H19N3OS — CID 70473266

IUPAC2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
SMILESCc1cnc(CSc2nc3ccccc3[nH]2)cc1OCc1ccccc1
InChIInChI=1S/C21H19N3OS/c1-15-12-22-17(11-20(15)25-13-16-7-3-2-4-8-16)14-26-21-23-18-9-5-6-10-19(18)24-21/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyXFGPODVQPBQFFE-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.14
Rot. Bonds6

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

2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole (PubChem CID 70473266) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
PubChem CID70473266
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
SMILESCc1cnc(CSc2nc3ccccc3[nH]2)cc1OCc1ccccc1
InChIInChI=1S/C21H19N3OS/c1-15-12-22-17(11-20(15)25-13-16-7-3-2-4-8-16)14-26-21-23-18-9-5-6-10-19(18)24-21/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyXFGPODVQPBQFFE-UHFFFAOYSA-N
XLogP5.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 70473916
2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 70481786
6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 70353363
2-[(4-benzylsulfanyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 54362469
2-[(5-ethyl-4-phenoxy-2-pyridinyl)methylsulfanyl]-5,6-dimethyl-1H-benzimidazole
CID 70472127
2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 673905
6-chloro-6,7,7-trifluoro-2-[(5-methoxy-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 54392122
2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
CID 899259
5-methyl-2-(2-naphthalen-1-ylethyl)-4-phenylmethoxypyridine;hydrochloride
CID 14441408
2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole
CID 3012526
2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752044
2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide
CID 134106203

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole (CID 70473266) is 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole is Cc1cnc(CSc2nc3ccccc3[nH]2)cc1OCc1ccccc1.
What is the InChIKey of 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole?
The InChIKey is XFGPODVQPBQFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-15-12-22-17(11-20(15)25-13-16-7-3-2-4-8-16)14-26-21-23-18-9-5-6-10-19(18)24-21/h2-12H,13-14H2,1H3,(H,23,24).
What are the key properties of 2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole?
2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole has a molecular weight of 361.47 g/mol, XLogP of 5.14, 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)methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 70473266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).