[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol

C17H19N3O2S — CID 14877893

IUPAC[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol
SMILESCOc1c(C)cnc(CSc2nc3ccccc3n2CO)c1C
InChIInChI=1S/C17H19N3O2S/c1-11-8-18-14(12(2)16(11)22-3)9-23-17-19-13-6-4-5-7-15(13)20(17)10-21/h4-8,21H,9-10H2,1-3H3
InChIKeyKBESDGPMAFFVJE-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.30
Rot. Bonds5

About [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol

[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol (PubChem CID 14877893) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol.

Molecular Properties

Compound Name[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol
PubChem CID14877893
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol
SMILESCOc1c(C)cnc(CSc2nc3ccccc3n2CO)c1C
InChIInChI=1S/C17H19N3O2S/c1-11-8-18-14(12(2)16(11)22-3)9-23-17-19-13-6-4-5-7-15(13)20(17)10-21/h4-8,21H,9-10H2,1-3H3
InChIKeyKBESDGPMAFFVJE-UHFFFAOYSA-N
XLogP3.30
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol with MolForge

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Related Compounds

2-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazole
CID 86745701
N-(4-fluorophenyl)-2-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 46347635
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline
CID 22394159
2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-3,5-dimethylpyridine
CID 56790290
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol
CID 10658970
2-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-4-methoxy-3,5-dimethylpyridine
CID 56790276
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]propane-1,2-diol
CID 79682772
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]phenyl]methanamine
CID 66353268
1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole
CID 138570407
2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol
CID 675063
2-[(4-chloro-3-methyl-2-pyridinyl)methylsulfanyl]-1-hydroxybenzimidazole
CID 90709374
2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
CID 71652884

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol?
The IUPAC name of [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol (CID 14877893) is [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol.
What is the SMILES notation for [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol?
The canonical SMILES for [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol is COc1c(C)cnc(CSc2nc3ccccc3n2CO)c1C.
What is the InChIKey of [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol?
The InChIKey is KBESDGPMAFFVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-8-18-14(12(2)16(11)22-3)9-23-17-19-13-6-4-5-7-15(13)20(17)10-21/h4-8,21H,9-10H2,1-3H3.
What are the key properties of [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol?
[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol has a molecular weight of 329.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol is sourced from PubChem (CID 14877893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).