2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole

C15H17N3OS — CID 71081851

IUPAC2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole
SMILESCOc1ccnc(CSC2Nc3ccccc3N2)c1C
InChIInChI=1S/C15H17N3OS/c1-10-13(16-8-7-14(10)19-2)9-20-15-17-11-5-3-4-6-12(11)18-15/h3-8,15,17-18H,9H2,1-2H3
InChIKeyHZIBYNUAUBGNEE-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.45
Rot. Bonds4

About 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole

2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole (PubChem CID 71081851) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole
PubChem CID71081851
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole
SMILESCOc1ccnc(CSC2Nc3ccccc3N2)c1C
InChIInChI=1S/C15H17N3OS/c1-10-13(16-8-7-14(10)19-2)9-20-15-17-11-5-3-4-6-12(11)18-15/h3-8,15,17-18H,9H2,1-2H3
InChIKeyHZIBYNUAUBGNEE-UHFFFAOYSA-N
XLogP3.45
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole?
The IUPAC name of 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole (CID 71081851) is 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole.
What is the SMILES notation for 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole?
The canonical SMILES for 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole is COc1ccnc(CSC2Nc3ccccc3N2)c1C.
What is the InChIKey of 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole?
The InChIKey is HZIBYNUAUBGNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-13(16-8-7-14(10)19-2)9-20-15-17-11-5-3-4-6-12(11)18-15/h3-8,15,17-18H,9H2,1-2H3.
What are the key properties of 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole?
2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole has a molecular weight of 287.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole is sourced from PubChem (CID 71081851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).