6-methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole

C14H13N3OS — CID 4674678

IUPAC6-methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
SMILESCOc1ccc2nc(SCc3ccccn3)[nH]c2c1
InChIInChI=1S/C14H13N3OS/c1-18-11-5-6-12-13(8-11)17-14(16-12)19-9-10-4-2-3-7-15-10/h2-8H,9H2,1H3,(H,16,17)
InChIKeyASVPNBDOVHTUEM-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.26
Rot. Bonds4

About 6-methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole

6-methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole (PubChem CID 4674678) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 6-methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
PubChem CID4674678
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name6-methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
SMILESCOc1ccc2nc(SCc3ccccn3)[nH]c2c1
InChIInChI=1S/C14H13N3OS/c1-18-11-5-6-12-13(8-11)17-14(16-12)19-9-10-4-2-3-7-15-10/h2-8H,9H2,1H3,(H,16,17)
InChIKeyASVPNBDOVHTUEM-UHFFFAOYSA-N
XLogP3.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Omeprazole
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Esomeprazole
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Dexlansoprazole
CID 9578005
Lansoprazole
CID 3883
Pantoprazole Sodium
CID 15008962
Tenatoprazole
CID 636411
Esomeprazole Sodium
CID 23674541
Fabomotizole
CID 9862937
Omeprazole sulfide
CID 155794
Lansoprazole sulfide
CID 1094080

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole (CID 4674678) is 6-methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole is COc1ccc2nc(SCc3ccccn3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole?
The InChIKey is ASVPNBDOVHTUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-18-11-5-6-12-13(8-11)17-14(16-12)19-9-10-4-2-3-7-15-10/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 6-methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole?
6-methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole has a molecular weight of 271.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole is sourced from PubChem (CID 4674678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).